SCHEMBL4659346

SCHEMBL4659346

O=S(=O)(O)c1ccc2oncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ CASP6 P55212 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SNCA P37840 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TRPM5 Q9NZQ8 1/20 0.36
▸ NT5E P21589 3/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ DUSP3 P51452 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
Hydrochloric Acid SCHEMBL27845581 0.98 ALDH1A1 (0.40) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL8788122 0.82 LMNA (0.47) KDM4ELMNATDP1CA12CA1
SCHEMBL21233203 0.82 TRPM5 (0.42) LMNATRPM5HDAC6
SCHEMBL30952445 0.82 TRPM5 (0.39) ALDH1A1HSD17B10CHRNA7TRPM5TDP1
SCHEMBL22951427 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4ECHRNA7LMNA
Benzo[D]Isoxazole SCHEMBL3561828 0.74 ALDH1A1 (0.51) ALDH1A1CYP2C9SNCAKDM4ELMNA
SCHEMBL30233294 0.71 SNCA (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL300937 0.71 SNCA (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL305423 0.71 SNCA (0.62) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL2001766 0.71 TRPM5 (0.37) CHRNA7TRPM5

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 5 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
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 — — 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 (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 ALDH1A1 2675/4885HSD17B10 3811/4885CASP6 1084/4885

“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.

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