SCHEMBL12965957

SCHEMBL12965957

Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(C(=O)c2cccnc2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ IDH1 O75874 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL13373241 0.86 L3MBTL1 (0.62) HTTGAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1429869 0.85 KMT2A (0.58) HTTGAAL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL12965697 0.85 IDH1 (0.40) HTTL3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL309514 0.83 SYK (0.50) HTTGAAKDM4EPOLB
SCHEMBL12965662 0.82 CNR2 (0.52) HTTL3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12965392 0.78 GAA (0.42) GAASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL1430239 0.77 GAA (0.41) GAASMN1; SMN2TP53
SCHEMBL308426 0.76 TGM2 (0.53) L3MBTL1ALDH1A1IDH1KMT2ALMNA
SCHEMBL28304921 0.76 ALDH1A1 (0.56) HTTL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1430644 0.74 LMNA (0.50) HTTGAAL3MBTL1SMN1; SMN2ALDH1A1

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 HTT 1038/4885GAA 3206/4885L3MBTL1 4373/4885

“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.

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