SCHEMBL12965697

SCHEMBL12965697

Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2cccnc2C)[C@@H](C)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
HSD11B1 P28845 3/20 0.38
MAPT P10636 1/20 0.38
HCRTR2 O43614 3/20 0.38
HTT P42858 1/20 0.38
SMO Q99835 1/20 0.37
EIF2AK4 Q9P2K8 2/20 0.37
HCRTR1 O43613 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
SCHEMBL12965392 0.94 GAA (0.42) TRPV1SMN1; SMN2TP53HSD11B1HCRTR2
Hydrochloric Acid SCHEMBL1430239 0.93 GAA (0.41) TRPV1SMN1; SMN2TP53HSD11B1HCRTR2
SCHEMBL13373154 0.88 RAB9A (0.53) KDM4ESMN1; SMN2ALDH1A1RAB9AL3MBTL1
Cnv2197944 SCHEMBL12965609 0.87 HSD11B1 (0.48) TRPV1ALDH1A1HSD11B1
Cnv2197944 SCHEMBL18652790 0.87 HSD11B1 (0.48) TRPV1ALDH1A1HSD11B1
Cnv2197944 SCHEMBL1429576 0.87 HSD11B1 (0.48) TRPV1ALDH1A1HSD11B1
Cnv2197944 SCHEMBL1429858 0.86 HSD11B1 (0.48) TRPV1ALDH1A1HSD11B1
SCHEMBL308946 0.85 SYK (0.42) IDH1KDM4EALDH1A1
SCHEMBL12965957 0.85 HTT (0.50) IDH1KDM4ESMN1; SMN2ALDH1A1RAB9A
Cnv2197944 SCHEMBL1429628 0.84 HSD11B1 (0.46) TRPV1ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO 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-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 IDH1 1775/4885KDM4E 2248/4885TRPV1 36/4885

“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.