SCHEMBL3635938

SCHEMBL3635938

O=C(O)C(Br)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
GAA P10253 1/20 0.46
CNR2 P34972 2/20 0.45
CYP1A2 P05177 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KCNN4 O15554 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
EEF2K O00418 1/20 0.37

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
SCHEMBL30888308 1.00 CES2 (0.47) CES2CES1GAACNR2CYP1A2
SCHEMBL8127998 1.00 CES2 (0.47) CES2CES1GAACNR2CYP1A2
SCHEMBL3638268 0.84 CES2 (0.50) CES2CES1GAACNR2CYP1A2
SCHEMBL2662687 0.82 CES2 (0.46) CES2CES1GAACNR2IDO1
SCHEMBL7470109 0.82 GAA (0.49) CES2CES1GAACNR2IDO1
SCHEMBL11965195 0.82 CES2 (0.46) CES2CES1GAACNR2ALDH1A1
SCHEMBL11000200 0.78 CES2 (0.50) CES2CES1GAACNR2IDO1
SCHEMBL1274051 0.78 CES2 (0.50) CES2CES1GAACNR2IDO1
SCHEMBL2483473 0.77 KMT2A (0.47) CES2CES1GAACNR2ALDH1A1
SCHEMBL29713160 0.77 KMT2A (0.47) CES2CES1GAACNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012151-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS Dupont Pharmaceuticals Company (US) 2000-06-28 EP claimed
WO-1999011643-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 WO claimed
EP-3571205-B1 THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2023-08-30 EP disclosed
CN-115160340-A Small molecule compound with ACK1 inhibitory activity and application thereof 四川大学华西医院 2022-10-11 CN disclosed
US-10759812-B2 Thienopyrimidine derivative and use thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-01 US disclosed
US-20190352311-A1 THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-11-21 US disclosed
CN-110036007-A PYRIDINE COMPOUND 第一三共株式会社 2019-07-19 CN disclosed
CN-108473498-A Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents 豪夫迈·罗氏有限公司 2018-08-31 CN disclosed
CN-108341830-A Thienopyrimidine derivative and its application in drug 广东东阳光药业有限公司 2018-07-31 CN disclosed
CN-107522634-A Biaryl ureas carboxylic acid derivates or its salt and its production and use 复旦大学 2017-12-29 CN disclosed
CN-102958922-B 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds HOFFMAN-LA ROCHE LTD. (CH) 2015-09-30 CN disclosed
WO-2002012260-A1 MACROLIDE ANTIBIOTICS PFIZER PRODUCTS INC. (US) 2002-02-14 WO disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
US-6124343-A Substituted phenyl compounds with a substituent having a thienyl ring RHONE-POULENC RORER LIMITED (GB) 2000-09-26 US disclosed
EP-0805802-B1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LTD (GB) 2000-08-16 EP disclosed
US-6048893-A Substituted phenyl compounds with a substituent having A 1,3-benzodioxole ring RHONE-POULENC RORER LIMITED (GB) 2000-04-11 US disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
EP-0805802-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE-POULENC RORER LIMITED (GB) 1997-11-12 EP disclosed
WO-1996022978-A1 SUBSTITUTED PHENYL COMPOUNDS AS ENDOTHELIN ANTAGONISTS RHONE POULENC RORER LIMITED (GB) 1996-08-01 WO 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 (2 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-20190352311-A1 THIENOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE ACACA, ACACB, PC CES2 1057/4885CES1 192/4885GAA 602/4885
US-10759812-B2 Thienopyrimidine derivative and use thereof in medicine ACACA, ACACB, PC CES2 1057/4885CES1 192/4885GAA 602/4885

“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.