SCHEMBL31316

SCHEMBL31316

O=C(O)[C@H](OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.43
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ GPR17 Q13304 1/20 0.40
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ CA12 O43570 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
SCHEMBL31317 1.00 HSD11B1 (0.43) HSD11B1KMT2AALDH1A1HSP90AA1P2RY2
SCHEMBL14141983 1.00 HSD11B1 (0.43) HSD11B1KMT2AALDH1A1HSP90AA1P2RY2
SCHEMBL5120356 1.00 HSD11B1 (0.43) HSD11B1KMT2AALDH1A1HSP90AA1P2RY2
SCHEMBL23524 0.87 KMT2A (0.44) KMT2AALDH1A1HSP90AA1P2RY2GPR17
SCHEMBL29993001 0.87 KMT2A (0.44) KMT2AALDH1A1HSP90AA1P2RY2GPR17
SCHEMBL14141639 0.87 KMT2A (0.44) KMT2AALDH1A1HSP90AA1P2RY2GPR17
SCHEMBL5672285 0.87 TDP1 (0.40) HSD11B1KMT2AALDH1A1LMNAGAA
SCHEMBL7495927 0.87 TDP1 (0.40) HSD11B1KMT2AALDH1A1LMNAGAA
SCHEMBL7490542 0.85 TDP1 (0.43) HSD11B1KMT2AALDH1A1LMNASLC1A3
SCHEMBL5671784 0.85 TDP1 (0.43) HSD11B1KMT2AALDH1A1LMNASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI (FR) 2003-11-06 — — US claimed
EP-1021449-B1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI SYNTHELABO (FR) 2002-01-02 — — EP claimed
EP-1021449-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-07-26 — — EP claimed
WO-1999018110-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-04-15 — — WO claimed
WO-2023202383-A1 TETRAHYDROTHIENOPYRIDINE DEUTERATED DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 中荣凯特(北京)生物科技有限公司 2023-10-26 — — WO disclosed
EP-3674306-B1 THIENOPYRIDINE DERIVATIVES CONTAINING AN ETHYLENIC ESTER, PREPARATION METHOD THEREFOR AND USE THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RES CO LTD (CN) 2023-10-11 — — EP disclosed
CN-116621856-A Novel carbamate compound and application thereof 成都施贝康生物医药科技有限公司 2023-08-22 — — CN disclosed
CN-116621857-A Novel carbamate compound and application thereof 成都施贝康生物医药科技有限公司 2023-08-22 — — CN disclosed
CN-114736215-B Tetrahydrothienopyridine deuterated derivative and preparation method and pharmaceutical application thereof 中荣凯特(北京)生物科技有限公司 2023-04-11 — — CN disclosed
CN-114736215-A Tetrahydrothienopyridine deuterated derivative and preparation method and pharmaceutical application thereof 中荣凯特(北京)生物科技有限公司 2022-07-12 — — CN disclosed
CN-112851570-A Preparation method and medical application of unsaturated cyclic amine cysteine disulfide derivative 北京沃邦医药科技有限公司 2021-05-28 — — CN disclosed
US-20200361952-A1 THIENOPYRIDINE DERIVATIVES CONTAINING UNSATURATED ALIPHATIC OLEFINIC BOND, PREPARATION METHOD AND USE THEREOF TIANJIN INSTITUTE OF PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2020-11-19 — — US disclosed
EP-1501838-A1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL Dinamite Dipharma S.p.A. (in abbreviated form Dipharma S.p.A.) (IT) 2005-02-02 — — EP disclosed
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI (FR) 2004-12-23 — — US disclosed
WO-2003093276-A1 A PROCESS FOR THE PREPARATION OF CLOPIDOGREL DIPHARMA S.P.A. (IT) 2003-11-13 — — WO disclosed
US-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI (FR) 2003-11-06 — — US disclosed
US-6573381-B1 Useful as intermediates, notably for the synthesis of methyl (S)-2(2-chlorophenyl)-2(4,5,6,7-tetrahydrothieno(3,2-c)-5-pyridyl)acetate or clopidrogel SANOFI-SYNTHELABO (FR) 2003-06-03 — — US disclosed
EP-1021449-B1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI SYNTHELABO (FR) 2002-01-02 — — EP disclosed
EP-1021449-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-07-26 — — EP disclosed
WO-1999018110-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-04-15 — — 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 (3 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-20200361952-A1 THIENOPYRIDINE DERIVATIVES CONTAINING UNSATURATED ALIPHATIC OLEFINIC BOND, PREPARATION METHOD AND USE THEREOF PTGIR, TBXA2R, PTGER1 HSD11B1 1378/4885KMT2A 2901/4885ALDH1A1 477/4885
US-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A HSD11B1 53/4885KMT2A 417/4885ALDH1A1 414/4885
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A HSD11B1 53/4885KMT2A 417/4885ALDH1A1 414/4885

“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.

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