SCHEMBL2443529

SCHEMBL2443529

COc1ccc(C)c(S(N)(=O)=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.40
PTGS2 P35354 3/20 0.40
PKM P14618 3/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CA4 P22748 1/20 0.38
TSHR P16473 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL1522738 0.79 PKM (0.41) PTGS1PTGS2PKMCA2CA12
SCHEMBL669663 0.79 CA1 (0.44) PTGS1PTGS2PKMCA2CA12
SCHEMBL2929807 0.79 CA2 (0.41) PTGS1PTGS2CA2CA12CA9
SCHEMBL3732613 0.79 LMNA (0.37) ALDH1A1TSHRMAPK1HSD17B10CYP3A4
SCHEMBL3600104 0.77 CA2 (0.46) CA2CA12CA9CA1ALDH1A1
SCHEMBL31536843 0.77 CA2 (0.46) CA2CA12CA9CA1ALDH1A1
SCHEMBL29381119 0.77 NMT1 (0.49) PTGS1PTGS2PKMCA2CA12
SCHEMBL114242 0.77 NMT1 (0.49) PTGS1PTGS2PKMCA2CA12
SCHEMBL691733 0.74 ALDH1A1 (0.56) PKMCA2CA12CA9CA1
SCHEMBL29469851 0.74 PTGS1 (0.42) PTGS1PTGS2PKMCA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084415-B2 Biomolecule-polymer-pharmaceutical agent conjugates for delivering the pharmaceutical agent MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-09-10 US disclosed
US-20230192610-A1 BIOMOLECULE-POLYMER-PHARMACEUTICAL AGENT CONJUGATES FOR DELIVERING THE PHARMACEUTICAL AGENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-06-22 US disclosed
EP-3052520-A2 STABILIZED POLYPEPTIDES AND USES THEREOF President and Fellows of Harvard College (US) 2016-08-10 EP disclosed
EP-3003314-A2 NOVEL COMPOUNDS AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2016-04-13 EP disclosed
EP-2968274-A1 MEROPENEM DERIVATIVES AND USES THEREOF Kala Pharmaceuticals, Inc. (US) 2016-01-20 EP disclosed
WO-2015051030-A2 STABILIZED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-09 WO disclosed
WO-2014197313-A2 NOVEL COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-12-11 WO disclosed
WO-2014144285-A1 MEROPENEM DERIVATIVES AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
EP-2367798-A2 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Cambria Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
US-20110230551-A1 WITHAFERIN A ANALOGS AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2011-09-22 US disclosed
WO-2010059241-A2 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2010-05-27 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-20110230551-A1 WITHAFERIN A ANALOGS AND USES THEREOF CYP51A1, HASPIN, NFATC1 PTGS1 1181/4885PTGS2 1129/4885PKM 4772/4885
US-20230192610-A1 BIOMOLECULE-POLYMER-PHARMACEUTICAL AGENT CONJUGATES FOR DELIVERING THE PHARMACEUTICAL AGENT MUC1, APOB, PLTP PTGS1 4220/4885PTGS2 3942/4885PKM 2564/4885
US-12084415-B2 Biomolecule-polymer-pharmaceutical agent conjugates for delivering the pharmaceutical agent MUC1, APOB, PLTP PTGS1 4220/4885PTGS2 3942/4885PKM 2564/4885

“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.