SCHEMBL4608523

SCHEMBL4608523

CCOc1ccc(N(C(=O)NC(C)CC)c2ccnc(N[C@@H](C)COC)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.58
ALDH1A1 P00352 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ACACB O00763 3/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HCAR3 P49019 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
SCHEMBL4608522 1.00 MAPK14 (0.58) MAPK14ALDH1A1TAS1R3TAS1R1ACACB
SCHEMBL4609310 0.93 MAPK14 (0.59) MAPK14ALDH1A1TP53HCAR3
SCHEMBL4609305 0.93 MAPK14 (0.59) MAPK14ALDH1A1TP53HCAR3
SCHEMBL4624200 0.93 MAPK14 (0.59) MAPK14TAS1R3TAS1R1ACACB
SCHEMBL4609621 0.93 MAPK14 (0.59) MAPK14TAS1R3TAS1R1ACACB
SCHEMBL4608769 0.90 MAPK14 (0.60) MAPK14ACACB
SCHEMBL4608771 0.90 MAPK14 (0.60) MAPK14ACACB
SCHEMBL4609179 0.90 MAPK14 (0.62) MAPK14ALDH1A1HCAR3
SCHEMBL4609176 0.90 MAPK14 (0.62) MAPK14ALDH1A1HCAR3
SCHEMBL4609170 0.90 MAPK14 (0.59) MAPK14ALDH1A1ACACB

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-7449474-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-11-11 US claimed
EP-1747204-B1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS PROCTER & GAMBLE (US) 2008-07-30 EP claimed
US-20050239811-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 US claimed

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-20050239811-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 MAPK14 2674/4885ALDH1A1 455/4885TAS1R3 2550/4885

“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.