SCHEMBL418322

SCHEMBL418322

O=C(O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 7/20 0.76
SLC1A2 P43004 7/20 0.76
SLC1A1 P43005 7/20 0.76
KMT2A Q03164 2/20 0.76
CYP1A2 P05177 2/20 0.76
MEN1 O00255 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
CYP2C19 P33261 1/20 0.76
ALDH1A1 P00352 3/20 0.50
PTGS2 P35354 1/20 0.50
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.46
SRR Q9GZT4 1/20 0.46
TP53 P04637 1/20 0.45
ALPI P09923 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL852209 1.00 SLC1A3 (0.76) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL1953602 1.00 SLC1A3 (0.76) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
Water SCHEMBL30419716 0.98 SLC1A3 (0.73) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL28285770 0.91 SLC1A2 (0.65) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL21873930 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2596995 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2597203 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2004120 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2004125 0.88 SLC1A2 (0.67) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL2819524 0.87 SLC1A2 (1.00) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112839715-B Process for producing compound for inhibiting SHP2 activity 诺华股份有限公司 2024-12-03 CN disclosed
US-12138262-B2 Process of manufacture of a compound for inhibiting the activity of SHP2, as well as products resulting from acid addition NOVARTIS AG (CH) 2024-11-12 US disclosed
EP-4282416-A2 PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2023-11-29 EP disclosed
US-20210346375-A1 PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2, AS WELL AS PRODUCTS RESULTING FROM ACID ADDITION NOVARTIS AG (CH) 2021-11-11 US disclosed
EP-3856345-A1 PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2021-08-04 EP disclosed
CN-112839715-A Method for preparing active compound for inhibiting SHP2 诺华股份有限公司 2021-05-25 CN disclosed
WO-2020065453-A1 PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-02 WO disclosed
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT REDDY S LAB LIMTED DR (IN) 2016-06-16 US disclosed
US-20150252039-A1 Process For The Preparation Of Pyrido[2,1-a] Isoquinoline Derivatives By Catalytic Asymmetric Hydrogenation Of An Enamine HOFFMANN-LA ROCHE INC. 2015-09-10 US disclosed
US-20150126743-A1 Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine HOFFMANN-LA ROCHE INC. 2015-05-07 US disclosed
US-20080076925-A1 PROCESS FOR THE PREPARATION OF PYRIDO [ 2-1-A] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 US disclosed
WO-2008031749-A1 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed
US-20080071087-A1 PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE HOFFMAN-LA ROCHE INC. 2008-03-20 US disclosed
WO-2008031750-A2 PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE F. HOFFMANN-LA ROCHE AG (CH) 2008-03-20 WO disclosed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed
US-7271173-B2 Mixed kappa/mu opioids and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2007-09-18 US disclosed
US-20040259901-A1 Mixed kappa/mu opioids and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-23 US disclosed
WO-2004045562-A2 MIXED KAPPA/MU OPIOIDS AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2004-06-03 WO disclosed
WO-2003029183-A1 METHOD OF SYNTHESISING CHICORIC ACID UNIVERSITE DE BORDEAUX I (FR) 2003-04-10 WO disclosed
US-6100401-A Process for preparing the d-threo isomer of methylphenidate hydrochloride NOVARTRIS AG (CH) 2000-08-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080076925-A1 PROCESS FOR THE PREPARATION OF PYRIDO [ 2-1-A] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE PNISR, SFPQ, PLPBP SLC1A3 4323/4885SLC1A2 3395/4885SLC1A1 4422/4885
US-20040259901-A1 Mixed kappa/mu opioids and uses thereof OPRK1, OPRD1, OPRL1 SLC1A3 438/4885SLC1A2 405/4885SLC1A1 213/4885
US-12138262-B2 Process of manufacture of a compound for inhibiting the activity of SHP2, as well as products resulting from acid addition PTPN5, PTPN7, PTPN1 SLC1A3 4458/4885SLC1A2 4627/4885SLC1A1 4620/4885
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT KMO, HCRTR2, COMT SLC1A3 495/4885SLC1A2 630/4885SLC1A1 848/4885
US-20210346375-A1 PROCESS OF MANUFACTURE OF A COMPOUND FOR INHIBITING THE ACTIVITY OF SHP2, AS WELL AS PRODUCTS RESULTING FROM ACID ADDITION PTPN5, PTPN7, PTPN1 SLC1A3 4458/4885SLC1A2 4627/4885SLC1A1 4620/4885
US-20150252039-A1 Process For The Preparation Of Pyrido[2,1-a] Isoquinoline Derivatives By Catalytic Asymmetric Hydrogenation Of An Enamine IDO2, IDO1, H1-2 SLC1A3 3622/4885SLC1A2 2350/4885SLC1A1 3716/4885
US-20150126743-A1 Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine PNPO, ENO1, CHRM1 SLC1A3 3228/4885SLC1A2 1554/4885SLC1A1 2579/4885
US-20080071087-A1 PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE PNPO, ENO1, CHRM1 SLC1A3 3228/4885SLC1A2 1554/4885SLC1A1 2579/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.