SCHEMBL3779210

SCHEMBL3779210

C=CS(=O)(=O)Nc1c(F)cc([C@@H](C)N)cc1F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.33
GRK5 P34947 1/20 0.32
GSTO1 P78417 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL3779213 1.00 TGM2 (0.33) TGM2GRK5GSTO1KIF11
SCHEMBL3787532 0.85 TGM2 (0.32) TGM2GSTO1
SCHEMBL3787534 0.85 TGM2 (0.32) TGM2GSTO1
SCHEMBL3784409 0.81 TGM2 (0.31) TGM2
SCHEMBL3784405 0.81 TGM2 (0.31) TGM2
SCHEMBL954462 0.80 ADRA2C (0.38)
SCHEMBL1987964 0.80 ADRA2C (0.38)
SCHEMBL954461 0.80 ADRA2C (0.38)
Hydrochloric Acid SCHEMBL18784069 0.79 ADRA2C (0.37)
Hydrochloric Acid SCHEMBL953690 0.79 ADRA2C (0.37)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 TGM2 3954/4885GRK5 170/4885GSTO1 3058/4885

“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.