SCHEMBL29326221

SCHEMBL29326221

O=c1[nH]c2cc(-c3ccccc3C(F)(F)F)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 1/20 0.42
TRPA1 O75762 3/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGES O14684 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
MDM2 Q00987 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HSD17B1 P14061 1/20 0.37

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
SCHEMBL27191722 0.88 CYP11B1 (0.46) NPEPPSTRPA1TRPM8KDM4EHTT
SCHEMBL29326224 0.88 NPEPPS (0.48) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326363 0.84 TNKS2 (0.50) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326236 0.84 NPEPPS (0.44) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326279 0.83 NPEPPS (0.42) NPEPPSTRPA1TDP1KDM4EHTT
SCHEMBL29326226 0.83 NPEPPS (0.42) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326666 0.83 HSP90AA1 (0.43) NPEPPSTDP1KDM4EHTTPTGES
SCHEMBL29326273 0.82 NPEPPS (0.41) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326223 0.82 FEN1 (0.58) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326335 0.82 NPEPPS (0.43) NPEPPSTRPA1TDP1KDM4EHTT

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE NPEPPS 168/4885TRPA1 3385/4885TRPM8 2402/4885

“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.