SCHEMBL6501532

SCHEMBL6501532

CCOC(=O)c1cc(S(C)(=O)=O)nn1-c1ccc(F)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.37
CHRNA7 P36544 1/20 0.37
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL3836461 0.86 SMN1; SMN2 (0.44) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL5390665 0.85 TP53 (0.47) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL6500690 0.85 AR (0.44) ALDH1A1ARPTGDR2
SCHEMBL7478866 0.82 ALOX5 (0.41) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL5390662 0.79 TP53 (0.48) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL6494601 0.77 PDE4D (0.55) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL3835827 0.75 SMN1; SMN2 (0.46) ALDH1A1POLBKDM4EKMT2AHSD17B10
SCHEMBL5376137 0.74 SMN1; SMN2 (0.39) ALDH1A1POLBKDM4EMAPTHSD17B10
SCHEMBL7073683 0.74 F10 (0.53)
SCHEMBL5383271 0.74 ALDH1A1 (0.48) ALDH1A1POLBKDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949550-B2 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20030212054-A1 Substituted amino methyl factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-11-13 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-20030212054-A1 Substituted amino methyl factor Xa inhibitors F11, F10, F9 ALDH1A1 4288/4885POLB 3858/4885KDM4E 194/4885

“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.