SCHEMBL13373239

SCHEMBL13373239

Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C)C[C@@H]2C)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
KMT2A Q03164 3/20 0.40
SMO Q99835 1/20 0.40
TRPV4 Q9HBA0 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GHSR Q92847 1/20 0.37
GBA1 P04062 1/20 0.36
GAA P10253 1/20 0.36
SMPD1 P17405 1/20 0.36
CNR1 P21554 1/20 0.36
GRM5 P41594 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
Hydrochloric Acid SCHEMBL1429437 0.99 EPHX2 (0.43) EPHX2KMT2ASMOTRPV4MEN1
SCHEMBL12965420 0.94 CNR2 (0.41) KMT2ASMOTRPV4POLBMAPT
SCHEMBL1429767 0.93 EPHX2 (0.46) EPHX2KMT2ASMOTRPV4MEN1
SCHEMBL12965681 0.88 ALDH1A1 (0.45) EPHX2KMT2ASMOTRPV4MEN1
SCHEMBL1429692 0.88 ALDH1A1 (0.45) EPHX2KMT2ASMOTRPV4MEN1
SCHEMBL1430644 0.84 LMNA (0.50) EPHX2KMT2AMEN1POLBALDH1A1
SCHEMBL2834502 0.84 EGLN1 (0.51)
SCHEMBL1429552 0.84 EGLN1 (0.51)
Formic Acid SCHEMBL1429563 0.84 ALDH1A1 (0.42) KMT2ASMOTRPV4MEN1POLB
SCHEMBL12965392 0.83 GAA (0.42) EPHX2SMOTRPV4TP53SMN1; SMN2

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 9 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-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-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
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 US 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 EPHX2 3915/4885KMT2A 3821/4885SMO 1786/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 EPHX2 4441/4885KMT2A 2387/4885SMO 1792/4885

“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.