SCHEMBL4119604

SCHEMBL4119604

O=C(O)c1ccccc1C(=O)Nc1cccc2cc(S(=O)(=O)O)ccc12.[NaH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.63
HSD17B10 Q99714 1/20 0.54
RHOA P61586 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
FGF1 P05230 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GFER P55789 1/20 0.46
SLC16A1 P53985 1/20 0.46
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
APEX1 P27695 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 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
SCHEMBL7224663 0.90 CASP6 (0.55) CASP6HSD17B10RHOACHRNB2CHRNB4
SCHEMBL6273521 0.88 CASP6 (0.63) CASP6HSD17B10RHOACHRNB2CHRNB4
SCHEMBL4119552 0.86 CASP6 (0.67) CASP6HSD17B10RHOAFGF1NPC1
SCHEMBL14328944 0.83 CASP6 (0.63) CASP6RHOAFGF1NPC1RAB9A
SCHEMBL6243020 0.82 CASP6 (0.66) CASP6HSD17B10RHOAFGF1NPC1
SCHEMBL6240628 0.82 CASP6 (0.72) CASP6HSD17B10RHOAFGF1NPC1
Naptalam SCHEMBL984498 0.81 HSD17B10 (0.72) HSD17B10CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10866993 0.81 PTPN1 (0.58) CASP6HSD17B10RHOACYP2C9CYP1A2
SCHEMBL10385032 0.80 PTPN1 (0.60) CASP6HSD17B10RHOACYP2C9CYP1A2
Naptalam SCHEMBL54940 0.80 HSD17B10 (0.74) HSD17B10CHRNB2CHRNB4CHRNA3CHRNA4

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 CASP6 2320/4885HSD17B10 436/4885RHOA 4558/4885
US-20060160849-A1 Pharmaceutical compositions containing sulphonic acid derivatives SUCNR1, NR1H4, CYP2B6 CASP6 2305/4885HSD17B10 429/4885RHOA 4577/4885

“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.