SCHEMBL7044560

SCHEMBL7044560

COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C#N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.53
CTNNB1 P35222 1/20 0.53
CTSL P07711 6/20 0.52
CTSS P25774 6/20 0.52
CTSK P43235 6/20 0.52
CTSB P07858 3/20 0.52
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL6183145 0.90 CTSL (0.54) CTSLCTSSCTSKCTSBLMNA
SCHEMBL6179590 0.85 CTSL (0.60) TCF4CTNNB1CTSLCTSSCTSK
SCHEMBL6184118 0.84 CTSB (0.51) CTSLCTSSCTSKCTSBMEN1
SCHEMBL6183292 0.81 CTSB (0.58) CTSLCTSSCTSKCTSB
SCHEMBL6185280 0.81 NTSR1 (0.49) CTSLCTSSCTSKCTSBALDH1A1
SCHEMBL6182148 0.79 CTSB (0.55) CTSLCTSSCTSKCTSB
SCHEMBL6181881 0.78 F3 (0.54) CTSLCTSSCTSKCTSB
SCHEMBL6182433 0.78 CTSB (0.53) CTSLCTSSCTSKCTSB
SCHEMBL6183531 0.77 CTSB (0.49) CTSLCTSSCTSKCTSBMEN1
SCHEMBL6181749 0.75 CTSB (0.57) CTSLCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 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-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 TCF4 4819/4885CTNNB1 3126/4885CTSL 14/4885

“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.