SCHEMBL4874599

SCHEMBL4874599

NC(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.58
MLYCD O95822 2/20 0.56
TACR1 P25103 6/20 0.55
P2RX1 P51575 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51
BACE1 P56817 1/20 0.47
BACE2 Q9Y5Z0 1/20 0.47
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOB P27338 1/20 0.45
IDO1 P14902 1/20 0.44
CES2 O00748 1/20 0.44
GAA P10253 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
SCHEMBL25779257 0.86 MTOR (0.55) MTORMLYCDTACR1P2RX1TMPRSS4
SCHEMBL4305835 0.83 TACR1 (0.60) MTORMLYCDTACR1P2RX1TMPRSS4
SCHEMBL11306116 0.83 TACR1 (0.63) MTORMLYCDTACR1P2RX1TMPRSS4
SCHEMBL31173731 0.83 MLYCD (0.63) MLYCDAURKARPS6KB1CYP2C19GAA
SCHEMBL1052230 0.83 MLYCD (0.63) MLYCDAURKARPS6KB1CYP2C19GAA
SCHEMBL15844016 0.82 TACR1 (0.58) MTORMLYCDTACR1P2RX1TMPRSS4
SCHEMBL6301053 0.81 MTOR (0.58) MTORMLYCDTACR1P2RX1TMPRSS4
SCHEMBL3897948 0.81 CYP2C9 (0.59) MTORAURKARPS6KB1CYP2C9CYP2C19
SCHEMBL16259478 0.81 EPHX2 (0.47) MTORCYP2C9CYP2C19
SCHEMBL15682957 0.81 MTOR (0.54) MTORMLYCDTACR1P2RX1TMPRSS4

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-7345040-B2 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INC. (US) 2008-03-18 US disclosed
US-20050250780-A1 Reverse-turn mimetics and compositions and methods relating thereto MYRIAD GENETICS, INCORPORATED (US) 2005-11-10 US disclosed
WO-2004035587-A1 REVERSE-TURN MIMETICS AND COMPOSITION AND METHODS RELATING THERETO MYRIAD GENETICS, INC. (US) 2004-04-29 WO 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-20050250780-A1 Reverse-turn mimetics and compositions and methods relating thereto TAC3, NTSR1, SCTR MTOR 1805/4885MLYCD 4584/4885TACR1 8/4885

“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.