SCHEMBL6954006

SCHEMBL6954006

CC1(CCC(=O)O)CCc2cc(NC(=O)c3ccc(C(N)=O)cc3)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP26A1 O43174 3/20 0.41
CYP26B1 Q9NR63 2/20 0.41
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39

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
SCHEMBL6951773 0.92 ITGB3 (0.56) ITGB3ITGA2BF2F10
SCHEMBL7345061 0.81 ITGB3 (0.51) ITGB3ITGA2BF2F10ALDH1A1
Hydrochloric Acid SCHEMBL6948743 0.80 ITGB3 (0.51) ITGB3ITGA2BF2F10ALDH1A1
SCHEMBL6950465 0.76 PPARG (0.43) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL5773379 0.76 AKT1 (0.64) AKT1
SCHEMBL3181335 0.72 AKT1 (0.42) NPC1MEN1KMT2AKDM4ECYP3A4
SCHEMBL6958663 0.71 ITGB3 (0.84) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL3782343 0.67 COXFA4 (0.49) NPC1RAB9ACYP3A4MAPT
SCHEMBL5773051 0.66 AKT1 (0.60) AKT1
SCHEMBL6952607 0.64 AKT1 (0.57) ITGB3ITGA2BF2F10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130342-A1 Glycoprotein llb/llla antagonists FISHER MATTHEW J (US) 2003-07-10 US disclosed
EP-0804431-B9 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2003-01-02 EP disclosed
US-6448269-B1 SUCH AS 6-(N-(4-(AMINOIMINOMETHYL)BENZOYL)AMINO)-3,4-DIHYDRO-4,4-DIMETHYL-2H-1 -BENZOPYRAN-2-YL)ACETIC ACID; INHIBITING PLATELET AGGREGATION OR FIBRINOGEN BINDING OR PREVENTING THROMBOSIS ELI LILLY AND COMPANY 2002-09-10 US disclosed
EP-0804431-B1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US disclosed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US disclosed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 WO 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-20030130342-A1 Glycoprotein llb/llla antagonists SELL, SELPLG, LY96 ITGB3 653/4885ITGA2B 294/4885NPC1 2274/4885

“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.