SCHEMBL308313

SCHEMBL308313

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.48
F13A1 P00488 2/20 0.47
TGM2 P21980 2/20 0.47
TGM1 P22735 2/20 0.47
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD11B1 P28845 1/20 0.42
GAA P10253 1/20 0.40
TGFBR1 P36897 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
SETD7 Q8WTS6 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL309817 0.93 MCL1 (0.43) EPHX2F13A1TGM2TGM1NR1H2
SCHEMBL309949 0.90 EPHX2 (0.50) EPHX2F13A1TGM2TGM1NR1H2
SCHEMBL308879 0.88 EPHX2 (0.50) EPHX2NR1H2NR1H3MCL1HSD11B1
SCHEMBL2832484 0.87 EPHX2 (0.48) EPHX2GAATRPV4USP2TSHR
SCHEMBL12965416 0.86 F13A1 (0.48) EPHX2F13A1TGM2TGM1NR1H2
SCHEMBL309655 0.86 F13A1 (0.48) EPHX2F13A1TGM2TGM1NR1H2
SCHEMBL1430098 0.84 F13A1 (0.46) EPHX2F13A1TGM2TGM1NR1H2
SCHEMBL308445 0.84 F13A1 (0.46) EPHX2F13A1TGM2TGM1NR1H2
SCHEMBL10042197 0.82 TDP1 (0.55) EPHX2F13A1TGM2TGM1GAA
SCHEMBL2831496 0.80 IDH1 (0.44) EPHX2GAAUSP2TSHR

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 3915/4885F13A1 4570/4885TGM2 2597/4885

“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.