SCHEMBL790052

SCHEMBL790052

CC1(C)OB(c2ccc(CS(N)(=O)=O)cc2)OC1(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.58
CA2 P00918 10/20 0.58
CA9 Q16790 10/20 0.58
CA5A P35218 2/20 0.58
CA12 O43570 1/20 0.58
CA3 P07451 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
CA14 Q9ULX7 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
LPL P06858 7/20 0.56
LIPG Q9Y5X9 7/20 0.56
F11 P03951 2/20 0.53
ESR2 Q92731 1/20 0.46
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL10059437 0.85 LIPG (0.57) CA1CA2CA9CA5ACA12
SCHEMBL1118853 0.81 LIPG (0.56) CA1CA2CA9CA5ACA12
SCHEMBL21665984 0.81 LIPG (0.53) CA1CA2CA9CA5ACA12
SCHEMBL15592879 0.81 LIPG (0.56) CA1CA2CA9CA5ACA12
SCHEMBL23327430 0.81 LIPG (0.53) CA1CA2CA9CA5ACA12
SCHEMBL17101700 0.78 ESR2 (0.55) CA1CA2CA9CA5ACA12
SCHEMBL364006 0.77 CA1 (0.71) CA1CA2CA9CA5ACA12
SCHEMBL15956361 0.77 CA1 (0.41) CA1CA2CA9CA5ACA12
SCHEMBL6240959 0.77 CA1 (0.44) CA1CA2CA9CA5ACA12
SCHEMBL171778 0.77 LIPG (0.65) CA1CA2CA9CA5ACA12

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102082-A1 ALKYLPHENYL SUBSTITUTED COMPOUNDS, COMPOSITIONS AND METHODS OF USE DEEP APPLE THERAPEUTICS, INC. (US) 2026-05-15 WO disclosed
CN-107074801-B Aryl and arylalkyl substituted pyrazolyl and pyrimidinyl tricyclenones as antioxidant inflammatory modulators 里亚塔医药公司 2021-11-05 CN disclosed
US-20170197968-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
WO-2016011019-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2016-01-21 WO disclosed
WO-2014151367-A1 1,2,5-SUBSTITUTED BENZIMIDAZOLES AS FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed
WO-2014124757-A1 PYRROLOTRIAZINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2014-08-21 WO disclosed
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS DALTON JAMES T (US) 2013-05-09 US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
WO-2007025575-A1 O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 WO disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 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-20170197968-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 CA1 4708/4885CA2 4122/4885CA9 2368/4885
US-20130116277-A1 ALDO-KETO REDUCTASE SUBFAMILY 1C3 (AKR1C3) INHIBITORS AKR1C3, AKR1C1, AKR1C2 CA1 4568/4885CA2 4059/4885CA9 3107/4885

“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.