SCHEMBL3030207

SCHEMBL3030207

CS(=O)(=O)N(c1ccc(N)cc1)S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
CYP3A4 P08684 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 3/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
PSMD14 O00487 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
HTR6 P50406 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41

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
SCHEMBL1916178 0.79 ALDH1A1 (0.52) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL12994623 0.78 MAPT (0.48) TDP1ALDH1A1MAPK1TSHRL3MBTL1
SCHEMBL2329697 0.77 SMN1; SMN2 (0.37) ALDH1A1LMNACA1CA2CA12
SCHEMBL20734785 0.76 CYP3A4 (0.42) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL1899321 0.76 CA2 (0.40) TDP1ALDH1A1TSHRL3MBTL1GFER
SCHEMBL1334344 0.76 ENPP2 (0.50) CYP3A4ALDH1A1TP53ALOX15L3MBTL1
SCHEMBL2993431 0.76 ALDH1A1 (0.43) TDP1CYP3A4ALDH1A1MAPK1TP53
SCHEMBL2513199 0.75 NR3C2 (0.44) ALDH1A1ALOX15HTR6CA2CA12
SCHEMBL16423298 0.74 LMNA (0.45) TDP1CYP3A4ALDH1A1TSHRL3MBTL1
SCHEMBL7850305 0.73 MMP2 (0.39) TDP1CYP3A4ALDH1A1MAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-7741364-B2 Neuronal nicotinic acetylcholine receptor modulators; such as ethyl 1-[4-(aminosulfonyl)phenyl]-5-(4-bromophenyl)-2-methyl-1H-pyrrole-3-carboxylate ABBOTT LABORATORIES (US) 2010-06-22 US disclosed
EP-2041085-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-04-01 EP disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008005303-A2 THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 WO disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US disclosed
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-03 US disclosed
US-5420292-A Biphenyl-tetrazole intermediate compounds ZENECA LIMITED (GB) 1995-05-30 US disclosed
US-5294716-A Chemical process for making angiotesin II antagonist compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US disclosed
EP-0031698-B1 XANTHENE DYES AND PHOTOGRAPHIC PRODUCTS AND PROCESSES UTILISING THEM POLAROID CORPORATION (US) 1984-06-20 EP disclosed
US-4429142-A PHOTOGRAPHIC LIGHT-SCREENING DYES POLAROID CORPORATION (US) 1984-01-31 US disclosed
US-4345017-A ANTIHALATION AGENTS, FILTERS, ANTISOILANTS TO ADJUST COLOR BALANCE OF LIGHT SENSITIVE ELEMENTS; COLOR FILMS; SELF-DEVELOPMENT/PHOTO/ POLAROID CORPORATION (US) 1982-08-17 US disclosed
US-4307017-A LIGHT SCREENING DYES IN PHOTOGRAPHIC PRODUCTS POLAROID CORPORATION (US) 1981-12-22 US disclosed
US-4304834-A LIGHT-SCREENING DYES; COLOR FILMS; SILVER HALIDE EMULSIONS POLAROID CORPORATION (US) 1981-12-08 US disclosed
EP-0031698-A1 Xanthene dyes and photographic products and processes utilising them POLAROID CORPORATION (US) 1981-07-08 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 (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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS TDP1 494/4885CYP3A4 458/4885ALDH1A1 745/4885
US-20080004253-A1 Thiazolopyrimidine modulators of TRPV1 TRPV1, TRPA1, TRPV2 TDP1 2870/4885CYP3A4 2297/4885ALDH1A1 2286/4885
US-20100216748-A1 Pyrrole Derivatives and Their Methods of Use PYCR1, PPOX, DHPS TDP1 494/4885CYP3A4 458/4885ALDH1A1 745/4885

“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.