SCHEMBL9895935

SCHEMBL9895935

CS(=O)(=O)c1cccc(C(Cc2ccc(F)cc2)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.45
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
KCNQ5 Q9NR82 2/20 0.40
KCNQ4 P56696 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPHX2 P34913 4/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
CCR1 P32246 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL9896187 0.86 ESR1 (0.51) VNN1PTGDR2ALDH1A1GAAKCNQ3
SCHEMBL9896010 0.84 EPHX2 (0.51) EPHX2PTGS1PTGS2CA2
SCHEMBL4664796 0.79 PPARA (0.56) PPARAPPARDALDH1A1EPHX2PTGS1
SCHEMBL9895954 0.79 PTGS2 (0.42) VNN1PTGDR2EPHX2PTGS1PTGS2
SCHEMBL9895000 0.77 SLC1A1 (0.48) PPARAALDH1A1EPHX2PTGS2PPARG
SCHEMBL9894833 0.76 PTPN1 (0.43) VNN1PTGDR2
SCHEMBL9896517 0.75 PTGS1 (0.57) PPARAPPARDALDH1A1PTGS1PTGS2
SCHEMBL27516632 0.73 HDAC4 (0.46) PPARAPPARDKCNQ2PPARG
SCHEMBL8607731 0.72 CES2 (0.52) VNN1PTGDR2ALDH1A1GAAEPHX2
SCHEMBL14541814 0.72 EPHX2 (0.47) PTGDR2ALDH1A1GAAEPHX2

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 VNN1 1504/4885PPARA 399/4885PPARD 213/4885

“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.