SCHEMBL6243177

SCHEMBL6243177

COC(=O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)cc(C(=O)Nc3ccc(C(=O)OC)cc3)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.72
RAB9A P51151 7/20 0.72
ATM Q13315 1/20 0.72
PTPN1 P18031 1/20 0.68
KMT2A Q03164 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
MEN1 O00255 5/20 0.67
ALDH1A1 P00352 3/20 0.67
TP53 P04637 3/20 0.67
PKM P14618 2/20 0.67
MAPK1 P28482 2/20 0.67
HPGD P15428 1/20 0.67
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
KDM4E B2RXH2 3/20 0.63
PTPN11 Q06124 1/20 0.63
MAPT P10636 3/20 0.61
PSMD14 O00487 1/20 0.60
CACNA1B Q00975 1/20 0.60
APBA1 Q02410 1/20 0.60

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
SCHEMBL6263820 0.92 NPC1 (0.83) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL8660366 0.92 NPC1 (0.83) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL29069365 0.90 NPC1 (0.64) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL16681258 0.89 RAB9A (0.75) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL16677984 0.89 MEN1 (0.72) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL25314204 0.86 NPC1 (0.57) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL16675160 0.86 KMT2A (0.68) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL1458219 0.85 ABCB1 (0.74) NPC1RAB9AATMKMT2ASMN1; SMN2
SCHEMBL8343416 0.85 NPC1 (0.59) NPC1RAB9AATMPTPN1KMT2A
SCHEMBL1457762 0.85 NPC1 (0.59) NPC1RAB9AATMPTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 3623/4885RAB9A 4790/4885ATM 465/4885

“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.