SCHEMBL30367329

SCHEMBL30367329

O=C(N[C@@H](CC(F)F)C(=O)O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.40
▸ TGM2 P21980 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ACE P12821 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ TYR P14679 2/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ CTSK P43235 2/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL2234378 0.89 CTSK (0.47) TYRCTSK
SCHEMBL30460474 0.89 CTSK (0.47) TYRCTSK
SCHEMBL22804081 0.89 CTSK (0.47) TYRCTSK
SCHEMBL31005798 0.89 CTSK (0.47) TYRCTSK
SCHEMBL27718876 0.89 CTSK (0.47) TYRCTSK
SCHEMBL2549264 0.88 PNMT (0.43) PNMTTGM2NPC1RAB9AACE
SCHEMBL2549268 0.88 PNMT (0.43) PNMTTGM2NPC1RAB9AACE
SCHEMBL30904667 0.87 CASP1 (0.46) PNMTCASP1
SCHEMBL30122530 0.87 CASP1 (0.46) PNMTCASP1
SCHEMBL18689470 0.87 PNMT (0.42) PNMTTGM2NPC1RAB9AACE

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-20230120254-A1 Nitrile-Containing Antiviral Compounds PFIZER INC. (US) 2023-04-20 — — 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-20230120254-A1 Nitrile-Containing Antiviral Compounds ACE2, NOS2, EIF2AK2 PNMT 284/4885TGM2 1435/4885NPC1 876/4885

“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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