SCHEMBL4873024

SCHEMBL4873024

NC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
TACR1 P25103 12/20 0.45
CACNA1F O60840 3/20 0.45
CACNA1D Q01668 3/20 0.45
CACNA1S Q13698 3/20 0.45
CACNA1C Q13936 3/20 0.45
CES2 O00748 1/20 0.44
GAA P10253 1/20 0.44
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
MTOR P42345 1/20 0.43
MAOB P27338 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL28552636 0.83 P2RX1 (0.42) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL27854715 0.83 PRKCA (0.63) IDO1PRKCAPRKCDMAOBEPHX1
SCHEMBL1282261 0.81 GABRA1 (0.43) IDO1TACR1
SCHEMBL3335304 0.81 IDO1 (0.58) IDO1MAOB
SCHEMBL8838337 0.81 IDO1 (0.53) IDO1TACR1CES2PRKCAPRKCD
SCHEMBL27255656 0.79 IDO1 (0.50) IDO1TACR1CES2PRKCAPRKCD
SCHEMBL24142274 0.77 IDO1 (0.49) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL805054 0.77 IDO1 (0.49) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL12831904 0.76 IDO1 (0.47) IDO1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL12758762 0.76 IDO1 (0.47) IDO1TACR1CACNA1FCACNA1DCACNA1S

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 IDO1 935/4885TACR1 8/4885CACNA1F 3708/4885

“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.