SCHEMBL4625949

SCHEMBL4625949

O=S(=O)(O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP6 P55212 1/20 0.50
CYP2A6 P11509 1/20 0.46
F10 P00742 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
NT5E P21589 1/20 0.43
LMNA P02545 1/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 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
SCHEMBL300937 0.87 SNCA (0.62) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL305423 0.87 SNCA (0.62) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL30233294 0.87 SNCA (0.62) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL3101290 0.84 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL1416021 0.84 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL3824024 0.84 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27538751 0.84 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9252711 0.84 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL836622 0.84 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL3824802 0.84 SNCA (0.60) SNCAALDH1A1HSD17B10CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP claimed
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP claimed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US claimed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US claimed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US claimed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP claimed
EP-1667635-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-06-14 EP claimed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO claimed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-05-05 US claimed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP disclosed
EP-1667635-A4 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
US-7312218-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB CO. (US) 2007-12-25 US disclosed
US-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS HAN WEI 2007-05-03 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
US-6288103-B1 MONOCYTE CHEMOATTRACTANT PROTEINS ANTAGONIST SUCH AS N-(3-CHLOROPHENYLSULPHONYL)INDOLE-2-CARBOXYLIC ACID; ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2001-09-11 US disclosed
EP-1001935-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 2000-05-24 EP disclosed
WO-1999007678-A1 INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 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-20070099922-A1 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS TFPI, F12, F5 SNCA 3195/4885ALDH1A1 2753/4885HSD17B10 1384/4885
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 SNCA 1266/4885ALDH1A1 2675/4885HSD17B10 3811/4885
US-20050096309-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, F12, F5 SNCA 3195/4885ALDH1A1 2753/4885HSD17B10 1384/4885

“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.