SCHEMBL6732077

SCHEMBL6732077

CC(=O)SC[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N(CCNC(=O)OC(C)(C)C)CCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MME P08473 2/20 0.42
ACE P12821 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
CYP3A4 P08684 5/20 0.39
APP P05067 3/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
ATM Q13315 1/20 0.38
IDO1 P14902 1/20 0.38
PPARD Q03181 2/20 0.37

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
SCHEMBL6731672 0.95 ATM (0.42) CTSSCTSKCKS1BSKP1SKP2
SCHEMBL6741683 0.92 CTSS (0.45) CTSSCTSKMMEACECKS1B
SCHEMBL6741678 0.89 CTSS (0.46) CTSSCTSKMMEACECKS1B
SCHEMBL6734376 0.87 ATM (0.44) CTSSCTSKCKS1BSKP1SKP2
SCHEMBL6740816 0.83 ATM (0.46) CTSSCTSKCKS1BSKP1SKP2
SCHEMBL6731374 0.83 MME (0.48) MMEACEMMEL1
SCHEMBL6734440 0.81 MAPT (0.49) CTSSCTSKMMEACECKS1B
SCHEMBL6741605 0.80 CTSS (0.46) CTSSCTSKCKS1BSKP1SKP2
SCHEMBL6735727 0.77 MME (0.40) MMEACECYP3A4PPARA
SCHEMBL6897114 0.76 MME (0.38) MMEACECYP3A4PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683200-B2 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE IS USED AS A TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORY AGENT AND A THERAPEUTICAL AGENT FOR AUTOIMMUNE DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-01-27 US disclosed
US-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-06 US disclosed
EP-1172358-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND MEDICINAL COMPOSITIONS CONTAINING THE SAME SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP 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-20020068763-A1 N-substituted-N'-substituted urea derivatives and pharmaceutical compositions containing the derivatives TNF, NFKBIA, UMPS CTSS 1220/4885CTSK 1712/4885MME 922/4885

“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.