SCHEMBL353285

SCHEMBL353285

Cc1ccc(S(N)(=O)=O)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
KDM4E B2RXH2 4/20 0.51
POLB P06746 3/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 2/20 0.50
CA3 P07451 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1805549 0.85 MAPK1 (0.55) CA2KDM4EPOLBGAACA12
SCHEMBL7141964 0.85 POLB (0.49) CA2KDM4EPOLBGAACA12
SCHEMBL1048077 0.85 CA2 (0.55) CA2KDM4EPOLBCA12CA1
SCHEMBL15746904 0.85 POLB (0.54) KDM4EPOLBGAATSHRLMNA
SCHEMBL1805547 0.84 POLB (0.48) CA2KDM4EPOLBGAACA12
SCHEMBL11183735 0.84 POLB (0.48) CA2KDM4EPOLBGAACA12
SCHEMBL8862312 0.83 KDM4E (0.62) KDM4EPOLBGAATSHRLMNA
SCHEMBL29543150 0.83 KDM4E (0.62) KDM4EPOLBGAATSHRLMNA
SCHEMBL35247 0.83 LMNA (0.66) KDM4EPOLBGAATSHRLMNA
SCHEMBL7824801 0.82 CA2 (0.55) CA2KDM4EPOLBGAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8211221-B2 Colorant compound and ink including the colorant compound CANON KABUSHIKI KAISHA (JP) 2012-07-03 US disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-20100089284-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND CANON KABUSHIKI KAISHA (JP) 2010-04-15 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO disclosed
EP-0102195-A2 Substituted aza bicycloalkyl derivatives with dopamine antagonist activity BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed
EP-0023964-B1 PHENYLIMINOTHIAZOLINE DERIVATIVES, THEIR PREPARATION AND INTERMEDIATES THEREFOR, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR PRODUCTION HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
US-4346088-A ANTILIPEMICS HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-24 US disclosed
EP-0023964-A1 Phenyliminothiazoline derivatives, their preparation and intermediates therefor, pharmaceutical preparations containing them and their production HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-18 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA CA2 2838/4885KDM4E 1862/4885POLB 1884/4885
US-20100089284-A1 COLORANT COMPOUND AND INK INCLUDING THE COLORANT COMPOUND CDKL5, RB1, CYP3A5 CA2 1787/4885KDM4E 1200/4885POLB 4739/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 CA2 4267/4885KDM4E 4644/4885POLB 1541/4885

“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.