SCHEMBL23593404

SCHEMBL23593404

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ KLK7 P49862 5/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ RECQL P46063 1/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ ALDH1A1 P00352 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
SCHEMBL24118611 1.00 CA1 (0.44) CA1CA2KLK7MEN1KMT2A
SCHEMBL23592440 1.00 CA1 (0.44) CA1CA2KLK7MEN1KMT2A
SCHEMBL26783043 0.88 CA1 (0.44) CA1CA2KMT2ASMN1; SMN2L3MBTL1
SCHEMBL24118081 0.86 MAPT (0.51) KLK7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL24118254 0.83 FPR2 (0.48) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL24118197 0.82 IDO1 (0.55) KLK7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL24118347 0.81 LMNA (0.50) KLK7MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL24118272 0.78 MEN1 (0.44) MEN1KMT2ASMN1; SMN2MAPTCYP1A2
SCHEMBL23593322 0.77 POLB (0.48) KLK7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25069089 0.75 CTSS (0.52) CA2KLK7MEN1KMT2ASMN1; SMN2

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-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — 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
US-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — 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 (3 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-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 CA1 1540/4885CA2 2336/4885KLK7 4437/4885
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 CA1 1496/4885CA2 2151/4885KLK7 4369/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 CA1 1441/4885CA2 2210/4885KLK7 4345/4885

“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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