SCHEMBL24118347

SCHEMBL24118347

C=C(CCNC(=O)OCc1ccccc1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ OPRK1 P41145 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MGLL Q99685 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KLK7 P49862 2/20 0.46
▸ CTSK P43235 3/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ TGM2 P21980 1/20 0.44

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
SCHEMBL24118081 0.83 MAPT (0.51) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL24118611 0.81 CA1 (0.44) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL23593404 0.81 CA1 (0.44) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL23592440 0.81 CA1 (0.44) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL24118254 0.80 FPR2 (0.48) LMNAMEN1KMT2APOLBHTT
SCHEMBL24118197 0.79 IDO1 (0.55) MEN1KMT2ASMN1; SMN2HTTKLK7
SCHEMBL23593322 0.77 POLB (0.48) MEN1KMT2ASMN1; SMN2POLBHTT
SCHEMBL27815058 0.77 MGLL (0.71) LMNAMEN1KMT2ASMN1; SMN2POLB
SCHEMBL24118272 0.75 MEN1 (0.44) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL22296876 0.74 LMNA (0.68) LMNAMEN1KMT2ASMN1; SMN2HTT

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 LMNA 4578/4885MEN1 1667/4885KMT2A 1464/4885

“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.

Send feedback