SCHEMBL7946495

SCHEMBL7946495

CCc1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
BRD4 O60885 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
MPO P05164 1/20 0.43
PTGS2 P35354 4/20 0.42
GLA P06280 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 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
SCHEMBL13995358 0.87 BRD4 (0.52) LMNABRD4ALDH1A1MAPTMPO
SCHEMBL8018423 0.86 ALDH1A1 (0.47) LMNAALDH1A1MAPTMPOPTGS2
SCHEMBL13890243 0.85 PTGS2 (0.49) BRD4PTGS2
SCHEMBL3724877 0.85 LMNA (0.46) LMNAALDH1A1MAPTMPOPTGS2
SCHEMBL1939686 0.85 LMNA (0.50) LMNAALDH1A1MAPTMPOPTGS2
SCHEMBL399056 0.85 LMNA (0.46) LMNAALDH1A1MAPTMPOPTGS2
SCHEMBL7946185 0.84 VCAM1 (0.38) LMNAALDH1A1MAPT
SCHEMBL7948250 0.84 GAA (0.44) ALDH1A1MAPTPTGDR2
SCHEMBL13995371 0.84 BRD4 (0.44) LMNABRD4ALDH1A1MAPTMPO
Hydrochloric Acid SCHEMBL1164961 0.83 LMNA (0.45) LMNAALDH1A1MAPTMPOPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG 2014-10-16 US disclosed
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG 2014-10-16 US disclosed
US-8791256-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2014-07-29 US disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP disclosed
US-6258984-B1 CHLORINATION OF P-ALKYLBENZENESULFONYL CHLORIDE CLARIANT GMBH (DE) 2001-07-10 US disclosed
EP-0619303-B1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AG (DE) 1997-08-13 EP disclosed
EP-0571405-B1 Process for preparing 4-alkylsulfonyl-1-alkyl-2-chlorobenzenes and intermediates HOECHST AG (DE) 1996-05-01 EP disclosed
US-5498798-A 4-alkyl-3-chlorobenzenesulfinic acids, 4-alkyl-3-chlorobenzenesulfonylcarboxylic acids, 4-alkyl-3-chloroalkylsulfonylbenzenes and preparation thereof HOECHST AG (DE) 1996-03-12 US disclosed
EP-0619303-A1 4-alkyl-3-chloro-benzenesulfinic acids, 4-alkyl-3-chloro-benzenesulfonic acids, 4-alkyl-3-chloro-alkylsulfonylbenzenes and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-12 EP disclosed
EP-0571405-A1 PROCESS FOR PREPARING 4-ALKYLSULFONYL-1-ALKYL-2-CHLOROBENZENES AND THE LIKE. HOECHST AG (DE) 1993-12-01 EP disclosed
WO-1992014700-A1 PROCESS FOR PREPARING 4-ALKYLSULFONYL-1-ALKYL-2-CHLOROBENZENES AND THE LIKE HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-03 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 (4 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-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 LMNA 3189/4885BRD4 703/4885ALDH1A1 3140/4885
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 LMNA 3623/4885BRD4 1406/4885ALDH1A1 1364/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 LMNA 101/4885BRD4 53/4885ALDH1A1 1306/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR LMNA 761/4885BRD4 106/4885ALDH1A1 1503/4885

“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.