Sugi Predict

Sugi Predict / Compounds / SCHEMBL503476

SCHEMBL503476

SCHEMBL503476

CCC(C)OP(=O)(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.49
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39

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
SCHEMBL4159264 0.84 GRM8 (0.49) CA1TSHRMEN1KMT2AALDH1A1
SCHEMBL915243 0.81 PGK1 (0.37) CA1TSHRMEN1KMT2ACA12
SCHEMBL915165 0.81 ESR1 (0.38) MEN1KMT2ACYP3A4LMNAKDM4E
SCHEMBL915525 0.81 AKR1C3 (0.59) AKR1C3CA1CA2CES2CES1
SCHEMBL2696137 0.81 TSHR (0.39) TSHRMEN1KMT2AALDH1A1CYP3A4
SCHEMBL914891 0.80 AKR1C3 (0.44) AKR1C3CA1CA2CES2CES1
SCHEMBL1760139 0.80 PGK1 (0.36) CYP3A4IDO1CYP2C19SMN1; SMN2
SCHEMBL1334895 0.80 FPR2 (0.38) MEN1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL917066 0.80 HTT (0.37) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL4633893 0.80 TRPA1 (0.40) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382991-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2022-07-12 — — US disclosed
US-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN CASE WESTERN RESERVE UNIVERSITY 2018-11-29 — — US disclosed
EP-2910945-B1 Molecular probes for imaging of myelin UNIV CASE WESTERN RESERVE (US) 2018-07-18 — — EP disclosed
US-9987379-B2 Molecular probes for imaging of myelin CASE WESTERN RESERVE UNIVERSITY (US) 2018-06-05 — — US disclosed
CN-101918369-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-24 — — CN disclosed
CN-102746239-B Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC. (BS) 2016-02-10 — — CN disclosed
CN-105294569-A Uracil or thymine derivatives for the treatment of hepatitis C ABBVIE INC 2016-02-03 — — CN disclosed
CN-103608333-B Androgen receptor antagonists and uses thereof SUZHOU KINTOR PHARMACEUTICALS INC. (CN) 2016-01-06 — — CN disclosed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 — — EP disclosed
EP-2635560-B1 DIHYDROOXAZOL-2-AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-09-30 — — EP disclosed
US-20080249280-A1 Process for Producing Polyester, Polyester Produced Using Said Process, and Polyester Molded Product TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-10-09 — — US disclosed
EP-1932867-A1 POLYESTER, PROCESS FOR PRODUCTION OF POLYESTER, AND POLYESTER MOLDED ARTICLE Toyo Boseki Kabushiki Kasisha (JP) 2008-06-18 — — EP disclosed
EP-1842868-A1 PROCESS FOR PRODUCING POLYESTER, POLYESTER PRODUCED USING SAID PROCESS, AND POLYESTER MOLDED PRODUCT Toyo Boseki Kabushiki Kasisha (JP) 2007-10-10 — — EP disclosed
US-7053245-B2 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-05-30 — — US disclosed
US-20050283019-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2005-12-22 — — US disclosed
EP-1511718-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-09 — — EP disclosed
US-20040210079-A1 N-acylamino benzyl ether derivatives JOLIDON SYNESE 2004-10-21 — — US disclosed
US-6762320-B2 MONOAMINE OXIDASE B INHIBITORS; ALZHEIMER'S DISEASE, SENILE DEMENTIA HOFFMAN-LA ROCHE INC. 2004-07-13 — — US disclosed
US-20030232883-A1 N-acylamino benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2003-12-18 — — US disclosed
WO-2003099763-A1 N-ACYLAMINOBENZENE DERVATIVES AS SELECTIVE MONOAMINE OXIDASE B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-04 — — 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 (5 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-20030232883-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 AKR1C3 72/4885CA1 2195/4885CA2 3088/4885
US-20040210079-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, CBR1 AKR1C3 62/4885CA1 2387/4885CA2 3384/4885
US-20050283019-A1 N-acylamino benzyl ether derivatives MAOB, MAOA, AOC2 AKR1C3 74/4885CA1 3143/4885CA2 3802/4885
US-20180339069-A1 MOLECULAR PROBES FOR IMAGING OF MYELIN MAG, MYT1, PMP22 AKR1C3 4631/4885CA1 1275/4885CA2 3178/4885
US-11382991-B2 Molecular probes for imaging of myelin MAG, MYT1, PMP22 AKR1C3 4631/4885CA1 1275/4885CA2 3178/4885

“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.