SCHEMBL1429677

SCHEMBL1429677

CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.75
GAA P10253 2/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.53
MEN1 O00255 3/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.50
PKM P14618 1/20 0.50
SCN9A Q15858 1/20 0.49
YAP1 P46937 1/20 0.48
TEAD4 Q15561 1/20 0.48
TEAD2 Q15562 1/20 0.48
SPR P35270 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL1429623 0.89 KMT2A (0.79) KMT2AGAAHPGDALDH1A1KDM4E
SCHEMBL2224619 0.83 SCN9A (0.55) KMT2AGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL1430395 0.83 KMT2A (0.68) KMT2AGAAHPGDALDH1A1KDM4E
SCHEMBL1429791 0.81 KMT2A (0.78) KMT2AGAAHPGDALDH1A1KDM4E
SCHEMBL2224021 0.80 SCN9A (0.50) KMT2AGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL1945534 0.79 GAA (0.72) KMT2AGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL6879191 0.79 SCN9A (0.53) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL1947493 0.78 L3MBTL1 (0.64) KMT2ASMN1; SMN2LMNASCN9AMAPT
SCHEMBL308903 0.77 SPR (0.57) KMT2AGAAKDM4ELMNANPSR1
SCHEMBL31539001 0.77 KMT2A (0.71) KMT2AGAAKDM4ESMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 US claimed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP claimed
JP-2011528020-A 2011-11-10 JP claimed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP claimed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US claimed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 WO claimed
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
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 EP disclosed
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 EP disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US 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 (2 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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D KMT2A 3821/4885GAA 3542/4885HPGD 2351/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 KMT2A 2387/4885GAA 3206/4885HPGD 2930/4885

“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.