SCHEMBL14280276

SCHEMBL14280276

O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(c2ccc([SH](=O)=O)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.72
HPGD P15428 7/20 0.66
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
MAPT P10636 7/20 0.63
TSHR P16473 4/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 2/20 0.63
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 2/20 0.63
NPSR1 Q6W5P4 5/20 0.58
HTT P42858 3/20 0.58
USP2 O75604 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 2/20 0.53

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
SCHEMBL14683416 0.90 CYP1A2 (0.69) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL3455805 0.87 ENPP2 (0.74) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL3456289 0.87 ENPP2 (0.74) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL4377447 0.85 ENPP2 (0.71) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL14683574 0.85 USP2 (0.63) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL24163544 0.81 HPGD (0.79) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL24163542 0.80 HPGD (1.00) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL3456248 0.80 HPGD (0.77) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL4384486 0.75 HPGD (0.70) ENPP2HPGDALDH1A1MEN1KMT2A
SCHEMBL4378295 0.75 HPGD (0.70) ENPP2HPGDALDH1A1MEN1KMT2A

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-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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 (3 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ENPP2 392/4885HPGD 633/4885ALDH1A1 1645/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ENPP2 407/4885HPGD 2529/4885ALDH1A1 2531/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 ENPP2 434/4885HPGD 1862/4885ALDH1A1 2251/4885

“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.