SCHEMBL22438830

SCHEMBL22438830

CC(C)(O)c1cc(C(F)(F)F)ncc1-c1ccc(C2(NC(=O)c3ccc(F)cc3)CCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.59
CYP2C9 P11712 4/20 0.59
PDE2A O00408 9/20 0.40
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 2/20 0.37
AKT1 P31749 1/20 0.37

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
SCHEMBL23919028 0.96 IDO1 (0.60) IDO1CYP2C9PDE2AHDAC3HDAC1
SCHEMBL22439040 0.85 IDO1 (0.66) IDO1CYP2C9PDE2AHDAC3HDAC1
SCHEMBL22438775 0.84 IDO1 (0.41) IDO1CYP2C9PDE2AHDAC3HDAC1
SCHEMBL22438754 0.82 FASN (0.43) IDO1CYP2C9PDE2A
SCHEMBL30070801 0.82 FASN (0.43) IDO1CYP2C9PDE2A
SCHEMBL23908253 0.81 IDO1 (0.45) IDO1CYP2C9PDE2AHDAC3HDAC1
SCHEMBL23908255 0.81 IDO1 (0.45) IDO1CYP2C9PDE2AHDAC3HDAC1
SCHEMBL23908266 0.81 IDO1 (0.45) IDO1CYP2C9PDE2AHDAC3HDAC1
SCHEMBL22439069 0.80 IDO1 (0.42) IDO1CYP2C9HDAC3HDAC1HDAC2
SCHEMBL22438913 0.80 IDO1 (0.54) IDO1CYP2C9PDE2AHDAC3HDAC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP claimed
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2022-11-15 US disclosed
US-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-14 US disclosed
EP-3709986-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-23 EP 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-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 915/4885PDE2A 783/4885
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP2C9 989/4885PDE2A 1080/4885

“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.