SCHEMBL1960375

SCHEMBL1960375

CS(=O)(=O)OCCc1ccccc1CCOS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
PSIP1 O75475 1/20 0.37
NQO2 P16083 1/20 0.36
CA12 O43570 1/20 0.35
CA5A P35218 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL27593170 0.91 CA1 (0.41) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2061401 0.91 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7155961 0.91 ALDH1A1 (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
Benzene SCHEMBL27441781 0.89 CA1 (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3589537 0.88 TAAR1 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL17372880 0.87 TAAR1 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2996214 0.87 TAAR1 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL4852971 0.87 TAAR1 (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3128402 0.87 TAAR1 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL29006859 0.86 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
US-10297757-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-21 US disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-05-18 US disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
EP-1694334-B1 TETRAHYDROBENZAZEPINES AND THEIR USE IN THE MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-10-19 EP disclosed
EP-2332543-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-06-15 EP disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-04-23 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-20050137186-A1 Tetrahydrobenzazepines and their use ABBOTT GMBH & CO. KG. 2005-06-23 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-20050137186-A1 Tetrahydrobenzazepines and their use DRD3, ADRB3, AVPR1B KDM4E 3117/4885USP2 4699/4885ALDH1A1 1176/4885
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET KDM4E 729/4885USP2 3900/4885ALDH1A1 77/4885
US-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 KDM4E 1558/4885USP2 3820/4885ALDH1A1 4324/4885
US-20170137426-A1 HETEROCYCLIC COMPOUNDS AS AXL INHIBITORS AXL, FLT3, MERTK KDM4E 3883/4885USP2 2270/4885ALDH1A1 3773/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 KDM4E 1772/4885USP2 4011/4885ALDH1A1 4102/4885
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor DRD3, DRD2, ADRB3 KDM4E 3533/4885USP2 4703/4885ALDH1A1 809/4885
US-10297757-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element and electronic device TERT, PIEZO1, ETV6 KDM4E 1248/4885USP2 3818/4885ALDH1A1 1366/4885

“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.