SCHEMBL24118075

SCHEMBL24118075

C=C(CCNC(=O)c1cncc(C(F)(F)F)c1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP36 Q9P275 9/20 0.45
▸ RHOC P08134 2/20 0.44
▸ RHOA P61586 2/20 0.44
▸ AR P10275 1/20 0.43
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DDR1 Q08345 1/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ TRPA1 O75762 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
SCHEMBL24118115 0.87 SCN10A (0.43) SMN1; SMN2EPHX2
SCHEMBL24118250 0.86 ALDH1A1 (0.54) RHOCRHOALMNADDR1EPHX2
SCHEMBL24118232 0.83 EPHX2 (0.43) EPHX2
SCHEMBL24117943 0.83 EPHX2 (0.43) RHOCRHOALMNASMN1; SMN2DDR1
SCHEMBL24118632 0.82 GCGR (0.48) LMNASMN1; SMN2
SCHEMBL24118272 0.81 MEN1 (0.44) RHOCRHOASMN1; SMN2
SCHEMBL24118386 0.79 MEN1 (0.42) RHOCRHOA
SCHEMBL24117949 0.79 IDO1 (0.53) —
SCHEMBL24117971 0.78 KDM4E (0.48) SMN1; SMN2
SCHEMBL30573525 0.77 USP36 (0.62) USP36ABL1

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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — 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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 USP36 2359/4885RHOC 3918/4885RHOA 2968/4885

“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.

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