SCHEMBL308314

SCHEMBL308314

Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(C(=O)O)[C@@H](CC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
TRPV4 Q9HBA0 2/20 0.44
OPRK1 P41145 2/20 0.40
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GBA1 P04062 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMPD1 P17405 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL309818 0.93 IDH1 (0.41) EPHX2TRPV4OPRK1GAAMEN1
SCHEMBL2832484 0.85 EPHX2 (0.48) EPHX2TRPV4GAAMEN1KMT2A
SCHEMBL2831496 0.78 IDH1 (0.44) EPHX2GAAMEN1KMT2AGBA1
SCHEMBL308313 0.75 EPHX2 (0.48) EPHX2TRPV4GAATSHR
SCHEMBL2835422 0.74 EPHX2 (0.51) EPHX2TRPV4MEN1KMT2AMAPT
SCHEMBL2833230 0.72 EPHX2 (0.51) EPHX2OPRK1MEN1KMT2AMAPT
SCHEMBL308532 0.71 EPHX2 (0.47) EPHX2TRPV4GAAMEN1KMT2A
SCHEMBL14132639 0.71 EPHX2 (0.47) EPHX2TRPV4GAAMEN1KMT2A
SCHEMBL13373239 0.71 EPHX2 (0.44) EPHX2TRPV4GAAMEN1KMT2A
SCHEMBL12965392 0.71 GAA (0.42) EPHX2TRPV4GAAHCRTR1HCRTR2

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-8093249-B2 Pyrazolo[1,5-A]pyrimidine-carbonyl-piperazine derivatives Convergence Pharmaceuticals Limited (GB) 2012-01-10 US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D EPHX2 3915/4885TRPV4 44/4885OPRK1 1030/4885

“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.