SCHEMBL14141983

SCHEMBL14141983

O=C(O)C(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
SCHEMBL31316 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3290423-B1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO LTD (CN) 2021-07-21 — — EP disclosed
CN-107922448-B Deuterated thienopiperidine derivative, preparation method and application thereof 江苏天士力帝益药业有限公司 2020-06-12 — — CN disclosed
US-20190055260-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2019-02-21 — — US disclosed
US-10000506-B2 Optically active 2-hydroxy tetrahydrothienopyridine derivatives, preparation method and use in manufacture of medicament thereof JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2018-06-19 — — US disclosed
EP-3290423-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF Jiangsu Vcare Pharmatech Co., Ltd (CN) 2018-03-07 — — EP disclosed
EP-2532668-B1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO LTD (CN) 2017-05-24 — — EP disclosed
US-20170121341-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2017-05-04 — — US disclosed
US-20150011583-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2015-01-08 — — US disclosed
US-8772489-B2 Optically active 2-hydroxy tetrahydrothienopyridine derivatives, preparation method and use in manufacture of medicament thereof Jiangsu Vcare PharmaTech Co. Ltd. (CN) 2014-07-08 — — US disclosed
US-20130165476-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF JIANGSU VCARE PHARMATECH CO., LTD. (CN) 2013-06-27 — — US disclosed
EP-2532668-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF Jiangsu Vcare Pharmatech Co., Ltd (CN) 2012-12-12 — — EP 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-10000506-B2 Optically active 2-hydroxy tetrahydrothienopyridine derivatives, preparation method and use in manufacture of medicament thereof TFPI, DHPS, THPO HSD11B1 602/4885KMT2A 3138/4885ALDH1A1 186/4885
US-20150011583-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF TFPI, DHPS, THPO HSD11B1 602/4885KMT2A 3138/4885ALDH1A1 186/4885
US-20130165476-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF TFPI, DHPS, THPO HSD11B1 602/4885KMT2A 3138/4885ALDH1A1 186/4885
US-20170121341-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF TFPI, DHPS, THPO HSD11B1 602/4885KMT2A 3138/4885ALDH1A1 186/4885
US-20190055260-A1 OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF TFPI, DHPS, THPO HSD11B1 602/4885KMT2A 3138/4885ALDH1A1 186/4885

“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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