SCHEMBL4177775

SCHEMBL4177775

O=C(c1csc(NS(=O)(=O)c2ccccc2)n1)N1CCCC(Cc2cncnc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 3/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL4180264 0.88 CCR3 (0.42) ALDH1A1LMNAGAAPKMSMN1; SMN2
SCHEMBL4171049 0.87 ALDH1A1 (0.43) ALDH1A1LMNAGAAPKMSMN1; SMN2
SCHEMBL4176363 0.87 TACR3 (0.47) ALDH1A1KDM4ECYP2C9CYP2C19MEN1
SCHEMBL3162739 0.86 GAA (0.42) ALDH1A1LMNAGAAPKMSMN1; SMN2
SCHEMBL4176879 0.86 ALDH1A1 (0.53) ALDH1A1GAAPKMMAPTHTT
SCHEMBL4177379 0.84 GAA (0.56) ALDH1A1LMNAGAAPKMNPC1
SCHEMBL4176042 0.83 ALDH1A1 (0.47) ALDH1A1LMNAGAAPKMSMN1; SMN2
SCHEMBL4172986 0.83 ALDH1A1 (0.46) ALDH1A1LMNAGAAPKMNPC1
SCHEMBL4172610 0.80 SCD5 (0.41) ALDH1A1LMNASMN1; SMN2NPC1HPGD
SCHEMBL4178123 0.80 SPR (0.45) ALDH1A1GAAPKMSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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 (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-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 ALDH1A1 3113/4885LMNA 3442/4885GAA 3679/4885

“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.