SCHEMBL995303

SCHEMBL995303

CC(C(=O)O)c1cccc(S(=O)(=O)Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 10/20 0.53
PTGS2 P35354 8/20 0.53
MAPT P10636 3/20 0.53
SLC22A6 Q4U2R8 3/20 0.53
CXCR1 P25024 2/20 0.53
CXCR2 P25025 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
HIF1A Q16665 2/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
PMP22 Q01453 1/20 0.53
CXCL8 P10145 1/20 0.53
THPO P40225 1/20 0.53
AKR1C3 P42330 8/20 0.49

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
SCHEMBL27503812 0.85 AKR1C3 (0.67) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL4027609 0.83 PTGS1 (0.53) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL27870611 0.83 PTGS2 (0.57) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL2363042 0.83 PTGS1 (0.55) PTGS1PTGS2SMN1; SMN2LMNAHPGD
SCHEMBL832607 0.82 PTGS1 (0.51) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL958495 0.80 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL602096 0.80 PTGS2 (0.69) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1758657 0.79 AKR1C3 (0.54) PTGS1PTGS2SLC22A6CXCR1CXCR2
SCHEMBL30990675 0.77 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HSD17B10LMNACYP3A4
SCHEMBL18600897 0.77 TRPV4 (0.50) ALDH1A1HSD17B10LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP disclosed
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed
US-7560548-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-07-14 US disclosed
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ANCLIFF RACHAEL A 2006-04-13 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 (2 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-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS PTGS1 3501/4885PTGS2 2059/4885MAPT 2484/4885
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA PTGS1 169/4885PTGS2 142/4885MAPT 663/4885

“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.