SCHEMBL4110673

SCHEMBL4110673

O=C(Nc1cccc2ccc(S(=O)(=O)O)cc12)c1ccccc1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
APEX1 P27695 1/20 0.56
CCR8 P51685 1/20 0.55
CASP6 P55212 1/20 0.53
TRPV1 Q8NER1 2/20 0.51
ALOX5 P09917 1/20 0.48
FGF1 P05230 1/20 0.47
KMT2A Q03164 2/20 0.47
KDR P35968 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KAT6A Q92794 1/20 0.45
ENPP2 Q13822 1/20 0.45
PRMT1 Q99873 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1339220 0.99 NPC1 (0.64) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL6242889 0.91 CASP6 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4119552 0.90 CASP6 (0.67) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4110670 0.87 CYP3A4 (0.62) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL1339180 0.87 NPC1 (0.62) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL14149590 0.83 TRPV1 (0.53) NPC1RAB9ACASP6TRPV1FGF1
SCHEMBL4103361 0.82 CASP6 (0.77) CYP1A2CASP6TRPV1KMT2ALMNA
SCHEMBL7233377 0.82 CASP6 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4102145 0.81 CASP6 (0.79) CYP1A2CASP6TRPV1KMT2ALMNA
SCHEMBL6240628 0.80 CASP6 (0.72) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES ITALFARMACO, S. A. (ES) 2009-03-19 US disclosed
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives ITALFARMACO, S.A. (ES) 2006-07-20 US disclosed
EP-1602644-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES Italfarmaco, S.A. (ES) 2005-12-07 EP 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-20090076140-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SULPHONIC ACID DERIVATIVES SUCNR1, NR1H4, CYP2B6 NPC1 593/4885RAB9A 865/4885CYP1A2 251/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 NPC1 616/4885RAB9A 878/4885CYP1A2 240/4885

“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.