SCHEMBL25863102

SCHEMBL25863102

Cc1c(F)c(F)c(NC(=O)OC(C)(C)C)c(C=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.36
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TAS1R3 Q7RTX0 3/20 0.32
▸ TAS1R1 Q7RTX1 3/20 0.32
▸ TAS1R2 Q8TE23 3/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ LCK P06239 4/20 0.31
▸ CTSK P43235 2/20 0.30

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
SCHEMBL25863100 0.86 ATR (0.33) ATRCA1CA2CA12TAS1R3
SCHEMBL25829865 0.84 ATR (0.41) ATRCA1CA2CA12CA9
SCHEMBL25829765 0.82 ATR (0.37) ATRCA1CA2CA12CA9
SCHEMBL25830529 0.81 ATR (0.34) ATRCA1CA2CTSK
SCHEMBL25829322 0.78 ATR (0.39) ATRCA1CA2CA12CA9
SCHEMBL31290291 0.77 CTSS (0.42) ATRCA1CA2CYP17A1
SCHEMBL20865565 0.74 ATR (0.40) ATRCA1CA2CYP17A1LCK
SCHEMBL8321546 0.72 ATR (0.32) ATRLCK
SCHEMBL29140715 0.71 ATR (0.36) ATRCA1CA2CA12CA9
SCHEMBL31124503 0.71 CA1 (0.39) ATRCA1CA2CA12CA9

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-20230234922-A1 PROCESSES FOR THE PREPARATION OF 4,6,7-TRIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID ENANTA PHARMACEUTICALS, INC. 2023-07-27 — — 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-20230234922-A1 PROCESSES FOR THE PREPARATION OF 4,6,7-TRIFLUORO-1H-INDOLE-2-CARBOXYLIC ACID ACE2, HTR3C, SARS1 ATR 2583/4885CA1 2017/4885CA2 435/4885

“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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