SCHEMBL2586501

SCHEMBL2586501

Cc1ccc(S(C)(=O)=O)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPAS1 Q99814 1/20 0.42
ENPP2 Q13822 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
G6PD P11413 1/20 0.41
IDE P14735 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CRHR1 P34998 1/20 0.40

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
SCHEMBL30098266 1.00 PTGS2 (0.42) PTGS2LMNATDP1EPAS1ENPP2
SCHEMBL6782609 0.84 ALDH1A1 (0.48) LMNATDP1EPAS1SMN1; SMN2ALDH1A1
SCHEMBL31402607 0.83 LMNA (0.42) LMNATDP1EPAS1SMN1; SMN2ALDH1A1
SCHEMBL1368195 0.83 CA2 (0.61) PTGS2LMNACA12CA1CA2
SCHEMBL29421567 0.83 LMNA (0.49) LMNATDP1ENPP2SMN1; SMN2G6PD
SCHEMBL394533 0.83 LMNA (0.49) LMNATDP1ENPP2SMN1; SMN2G6PD
SCHEMBL11353339 0.81 LMNA (0.41) PTGS2LMNATDP1EPAS1SMN1; SMN2
SCHEMBL31689531 0.81 LMNA (0.41) LMNATDP1EPAS1SMN1; SMN2ALDH1A1
SCHEMBL7546641 0.81 LMNA (0.41) LMNATDP1EPAS1SMN1; SMN2ALDH1A1
SCHEMBL6995604 0.81 ALDH1A1 (0.42) LMNATDP1SMN1; SMN2ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12544382-B2 2, 4, 6-tri-substituted pyrimidine compound as ATR kinase inhibitor BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2026-02-10 US disclosed
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
WO-2023159307-A1 POLO-LIKE KINASE 4 (PLK4) INHIBITORS, PHARMACEUTICAL COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF REPARE THERAPEUTICS INC. (CA) 2023-08-31 WO disclosed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US disclosed
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed
US-20220378799-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-08-11 US disclosed
EP-3967694-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR Beijing Tide Pharmaceutical Co., Ltd. (CN) 2022-03-16 EP disclosed
EP-3901147-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2021-10-27 EP disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
CN-101263131-B Urea glucokinase activators TRANSTECH PHARMA INC 2013-04-24 CN disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
CN-101263131-A Urea glucokinase activators NOVO NORDISK AS (US) 2008-09-10 CN disclosed
EP-1856058-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-11-21 EP disclosed
WO-2006094187-A2 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-09-08 WO disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 US 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 (7 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 PTGS2 575/4885LMNA 3537/4885TDP1 2140/4885
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF RIPK1, RIPK3, RIPK4 PTGS2 3872/4885LMNA 2659/4885TDP1 1125/4885
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3R5 PTGS2 634/4885LMNA 4311/4885TDP1 601/4885
US-12544382-B2 2, 4, 6-tri-substituted pyrimidine compound as ATR kinase inhibitor ATR, CHEK1, CHEK2 PTGS2 4299/4885LMNA 1235/4885TDP1 271/4885
US-20220378799-A1 2, 4, 6-TRI-SUBSTITUTED PYRIMIDINE COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 PTGS2 2586/4885LMNA 1773/4885TDP1 252/4885
US-20220251087-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD PTGS2 1184/4885LMNA 3480/4885TDP1 370/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 PTGS2 3528/4885LMNA 629/4885TDP1 1765/4885

“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.