SCHEMBL4658351

SCHEMBL4658351

Cc1c(S(=O)(=O)O)sc2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MCL1 Q07820 2/20 0.44
BCKDK O14874 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CMA1 P23946 6/20 0.43
PFKFB3 Q16875 5/20 0.43
PFKFB4 Q16877 5/20 0.43
AKR1B1 P15121 1/20 0.43
HTR6 P50406 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL2226181 0.87 NPSR1 (0.60) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
Hydrochloric Acid SCHEMBL6712744 0.86 NPSR1 (0.59) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL788639 0.85 NPSR1 (0.48) NPSR1L3MBTL1MCL1BCKDKRXFP1
SCHEMBL5049535 0.85 NPSR1 (0.48) NPSR1L3MBTL1MCL1BCKDKRXFP1
SCHEMBL788508 0.76 HSD11B1 (0.47) L3MBTL1MCL1RXFP1CMA1PFKFB3
SCHEMBL3681719 0.75 NPSR1 (0.36) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL3691284 0.74 NPSR1 (0.36) NPSR1L3MBTL1CMA1PFKFB3PFKFB4
SCHEMBL8285035 0.73 MCL1 (0.44) NPSR1L3MBTL1MCL1BCKDKRXFP1
SCHEMBL121901 0.72 MCL1 (0.57) MCL1BCKDKRXFP1NPC1RAB9A
SCHEMBL12153769 0.72 MCL1 (0.71) NPSR1MCL1BCKDKRXFP1NPC1

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 8 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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 NPSR1 1063/4885L3MBTL1 4149/4885MCL1 3697/4885

“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.