SCHEMBL6790366

SCHEMBL6790366

COC(=O)[C@H](C)c1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
CASR P41180 4/20 0.46
CNR1 P21554 3/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A3 Q01959 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
FPR2 P25090 1/20 0.43

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
SCHEMBL5767286 1.00 EPHX1 (0.49) EPHX1CASRCNR1MEN1RAB9A
SCHEMBL6789868 1.00 EPHX1 (0.49) EPHX1CASRCNR1MEN1RAB9A
SCHEMBL5727321 0.86 EPHX1 (0.53) EPHX1CASRCNR1SLC6A3TAS1R3
SCHEMBL5726563 0.86 EPHX1 (0.53) EPHX1CASRCNR1SLC6A3TAS1R3
SCHEMBL5727545 0.86 EPHX1 (0.53) EPHX1CASRCNR1SLC6A3TAS1R3
SCHEMBL6380819 0.84 EPHX1 (0.67) EPHX1CASRCNR1MEN1RAB9A
SCHEMBL6380441 0.80 TSHR (0.56) EPHX1CNR1MEN1RAB9AKMT2A
SCHEMBL3146895 0.78 FPR2 (0.66) CASRCNR1MEN1RAB9AKMT2A
SCHEMBL3557866 0.77 MAPT (0.59) CASRMEN1RAB9AKMT2AALDH1A1
SCHEMBL1447652 0.76 SMN1; SMN2 (0.56) MEN1RAB9AKMT2AALDH1A1CYP1A2

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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents PFIZER ITALIA S.R.I. (IT) 2004-11-25 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-20040235919-A1 Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents CDK2, CDK1, CDKN1A EPHX1 3644/4885CASR 4651/4885CNR1 4195/4885

“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.