SCHEMBL6244552

SCHEMBL6244552

O=C(Nc1cccc2c(S(=O)(=O)O)cccc12)c1cc(C(=O)Nc2cccc3c(S(=O)(=O)O)cccc23)cc(C(=O)Nc2cccc3c(S(=O)(=O)O)cccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 2/20 0.49
CD40LG P29965 2/20 0.49
CCR8 P51685 4/20 0.48
TIMP3 P35625 3/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TTR P02766 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL6242899 0.91 CCR8 (0.58) CD40CD40LGCCR8TIMP3RAB9A
SCHEMBL1339026 0.89 NPC1 (0.62) CD40CD40LGCCR8RAB9ANPC1
SCHEMBL10902168 0.83 TTR (0.53) CD40CD40LGRAB9ACYP1A2TTR
SCHEMBL6241585 0.83 TIMP3 (0.56) TIMP3RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL1338412 0.81 CCR8 (0.70) CD40CD40LGCCR8TIMP3RAB9A
SCHEMBL6073527 0.81 CASP6 (0.60) CYP1A2TTRMEN1KMT2AALDH1A1
SCHEMBL6242038 0.80 CD40 (0.61) CD40CD40LGTIMP3RAB9ANPC1
SCHEMBL4108482 0.80 CCR8 (0.68) CD40CD40LGCCR8TIMP3RAB9A
SCHEMBL11782093 0.79 HSD17B10 (0.56) CD40CD40LGCCR8TIMP3RAB9A
SCHEMBL21912407 0.78 PARP1 (0.41) CD40CD40LGCCR8TIMP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315695-B1 BENZENE TRICARBOXYLIC ACID AMIDES AS INSULIN RECEPTOR ACTIVATORS TELIK INC (US) 2005-07-13 EP claimed
US-6600069-B2 Insulin receptor kinase activators; treating hyperglycemia; 4-((3,5-bis(N-(4-sulfophenyl)carbamoyl)phenyl)carbonylamino)-benzenesulfonic acid, for example TELIK, INC. 2003-07-29 US claimed
US-20020103183-A1 Benzene tricarboxylic acid derivatives as insulin receptor activators TELIK, INC. 2002-08-01 US claimed
EP-1315695-B1 BENZENE TRICARBOXYLIC ACID AMIDES AS INSULIN RECEPTOR ACTIVATORS TELIK INC (US) 2005-07-13 EP disclosed
US-6600069-B2 Insulin receptor kinase activators; treating hyperglycemia; 4-((3,5-bis(N-(4-sulfophenyl)carbamoyl)phenyl)carbonylamino)-benzenesulfonic acid, for example TELIK, INC. 2003-07-29 US disclosed
US-20020103183-A1 Benzene tricarboxylic acid derivatives as insulin receptor activators TELIK, INC. 2002-08-01 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-20020103183-A1 Benzene tricarboxylic acid derivatives as insulin receptor activators GPR119, INSR, IRS1 CD40 1424/4885CD40LG 2403/4885CCR8 2101/4885

“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.