SCHEMBL21504265

SCHEMBL21504265

C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cncc(C(F)(F)F)c3)(C1)C2

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 0.64
▸ USP36 Q9P275 4/20 0.45
▸ AR P10275 1/20 0.41
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 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
SCHEMBL21504302 0.87 IDO1 (0.68) IDO1
SCHEMBL24118231 0.86 IDO1 (0.75) IDO1
SCHEMBL30055221 0.86 IDO1 (0.75) IDO1
SCHEMBL24118077 0.86 IDO1 (0.75) IDO1
SCHEMBL30056080 0.86 IDO1 (0.75) IDO1
SCHEMBL21504029 0.86 IDO1 (0.76) IDO1
SCHEMBL21496355 0.83 IDO1 (0.66) IDO1
SCHEMBL21496357 0.83 IDO1 (0.66) IDO1
SCHEMBL24117945 0.83 IDO1 (0.67) IDO1
SCHEMBL21496344 0.83 IDO1 (0.67) IDO1

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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME LLC (US) 2022-10-25 — — US disclosed
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
WO-2019204180-A1 NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-10-24 — — 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 (2 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-11478461-B2 [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, KYNU IDO1 1/4885USP36 3125/4885AR 3834/4885
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 IDO1 1/4885USP36 2359/4885AR 3933/4885

“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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