SCHEMBL6736614

SCHEMBL6736614

CC(=O)SC[C@H](Cc1ccccc1)NC(=O)N(CCc1ccccc1)CCN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCC3 O15438 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
NR3C1 P04150 1/20 0.38
RARG P13631 1/20 0.38
CNR1 P21554 1/20 0.38
NR1H2 P55055 1/20 0.38
PPARA Q07869 1/20 0.38
NR1H3 Q13133 1/20 0.38
NR1I3 Q14994 1/20 0.38

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
SCHEMBL6735727 0.89 MME (0.40) MMEUTS2RCYP3A4MAPK1OPRK1
SCHEMBL6731675 0.85 MAPK1 (0.51) TAAR1CYP3A4MAPK1OPRK1OPRM1
SCHEMBL9587015 0.85 MME (0.43) MMECYP3A4MAPK1OPRK1CYP1A2
SCHEMBL6736034 0.83 HDAC4 (0.38) TAAR1UTS2RCYP3A4MAPK1OPRK1
SCHEMBL6731374 0.83 MME (0.48) MME
SCHEMBL9587952 0.82 MME (0.47) MMECYP3A4MAPK1OPRK1CYP1A2
SCHEMBL6734514 0.82 OPRK1 (0.41) MMECYP3A4MAPK1OPRK1CYP1A2
SCHEMBL6737016 0.80 CTSB (0.44) TAAR1OPRK1OPRM1OPRD1LPAR1
SCHEMBL6896981 0.77 LPAR1 (0.50) MMELPAR1
SCHEMBL27538252 0.77 LPAR1 (0.50) MMELPAR1

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 MME 922/4885TAAR1 2347/4885UTS2R 29/4885

“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.