SCHEMBL7044563

SCHEMBL7044563

COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC(C)CC(=O)NCC#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
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KDM1A O60341 1/20 0.46
UBE2N P61088 1/20 0.45
USP2 O75604 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 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
SCHEMBL6876215 0.79 PAX8 (0.47) ALDH1A1SMN1; SMN2LMNAGAAHPGD
SCHEMBL6179590 0.78 CTSL (0.60) TCF4CTNNB1
SCHEMBL16430711 0.77 TCF4 (0.66) TCF4CTNNB1CYP19A1ALDH1A1KMT2A
SCHEMBL5521758 0.76 PRMT5 (0.48) GAA
SCHEMBL7645777 0.75 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2LMNAMEN1GAA
SCHEMBL7551492 0.75 SMN1; SMN2 (0.41) ALDH1A1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL6203504 0.74 LOXL2 (0.42) KMT2AGAAHSD17B10RAB9A
SCHEMBL7449982 0.74 POLB (0.47) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL6184113 0.73 KDM4E (0.54) KMT2AKDM4E
SCHEMBL16430155 0.72 KMT2A (0.77) TCF4CTNNB1CYP19A1KMT2AMEN1

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 3126/4885CYP19A1 2702/4885

“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.