SCHEMBL25863100

SCHEMBL25863100

CC(C)=Cc1c(F)c(C)c(F)c(F)c1NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.33
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ TAS1R3 Q7RTX0 3/20 0.31
▸ TAS1R1 Q7RTX1 3/20 0.31
▸ TAS1R2 Q8TE23 3/20 0.31
▸ SYK P43405 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ CA14 Q9ULX7 2/20 0.30
▸ LCK P06239 2/20 0.30
▸ CA7 P43166 1/20 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
SCHEMBL25863102 0.86 ATR (0.36) ATRCA1CA2TAS1R3TAS1R1
SCHEMBL31290291 0.75 CTSS (0.42) ATRCA1CA2CYP17A1
SCHEMBL8321546 0.73 ATR (0.32) ATRLCK
SCHEMBL20865565 0.72 ATR (0.40) ATRCA1CA2CYP17A1LCK
SCHEMBL25829865 0.70 ATR (0.41) ATRCA1CA2CYP17A1CA12
SCHEMBL25255238 0.70 GPR35 (0.36) ATR
SCHEMBL25863135 0.70 GPR35 (0.36) ATR
SCHEMBL29140715 0.69 ATR (0.36) ATRCA1CA2SYKCYP17A1
SCHEMBL31124503 0.69 CA1 (0.39) ATRCA1CA2SYKCYP17A1
SCHEMBL25829765 0.69 ATR (0.37) ATRCA1CA2CYP17A1CA12

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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