SCHEMBL4659404

SCHEMBL4659404

O=S(=O)(O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
APEX1 P27695 1/20 0.51
SCN9A Q15858 1/20 0.50
CYP1B1 Q16678 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.47
PTGS2 P35354 5/20 0.46
PTGS1 P23219 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.45
ACLY P53396 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NT5E P21589 1/20 0.43
KMO O15229 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL474108 0.83 APEX1 (0.48) APEX1MAOAMAOBLMNAALDH1A1
SCHEMBL29389290 0.83 APEX1 (0.48) APEX1MAOAMAOBLMNAALDH1A1
SCHEMBL1019304 0.82 AHR (0.58) AHRAPEX1SCN9ACYP1B1PTGES2
Fluoride SCHEMBL11757109 0.81 APEX1 (0.47) APEX1MAOAMAOBLMNAALDH1A1
Hydrochloric Acid SCHEMBL9871804 0.81 RAB9A (0.47) APEX1MAOAMAOBLMNAALDH1A1
SCHEMBL126576 0.81 APEX1 (0.47) APEX1MAOAMAOBLMNAALDH1A1
Hydrochloric Acid SCHEMBL11167399 0.81 RAB9A (0.47) APEX1MAOAMAOBLMNAALDH1A1
SCHEMBL29990536 0.80 LMNA (0.65) MMP2LMNAALDH1A1TSHRNT5E
SCHEMBL447639 0.80 LMNA (0.65) MMP2LMNAALDH1A1TSHRNT5E
SCHEMBL3171676 0.80 LMNA (0.65) MMP2LMNAALDH1A1TSHRNT5E

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 18 patents. 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-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP claimed
EP-1399137-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-14 EP claimed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US claimed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO claimed
US-6849635-B2 Sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2005-02-01 US claimed
US-20040152893-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 US claimed
EP-1399137-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-03-24 EP claimed
WO-2002089785-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 WO claimed
EP-1684744-A4 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-17 EP disclosed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
EP-1399137-A4 SULFONAMIDES SMITHKLINE BEECHAM CORP (US) 2005-12-14 EP disclosed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
US-6849635-B2 Sulfonamides SMITHKLINE BEECHAM CORPORATION (US) 2005-02-01 US disclosed
US-20040152893-A1 Sulfonamides SMITHKLINE BEECHAM CORPORATION 2004-08-05 US disclosed
EP-1399137-A1 SULFONAMIDES SmithKline Beecham Corporation (US) 2004-03-24 EP disclosed
WO-2002089785-A1 SULFONAMIDES SMITHKLINE BEECHAM CORPORATION (US) 2002-11-14 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 (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-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 AHR 4474/4885APEX1 1031/4885SCN9A 693/4885
US-20040152893-A1 Sulfonamides UTS2R, PRSS2, STS AHR 3316/4885APEX1 4739/4885SCN9A 1784/4885

“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.