SCHEMBL6958567

SCHEMBL6958567

CC(C)(C)OC(=O)N=C(N)c1ccc(COc2ccc3c(c2)CCC(CC(=O)O)O3)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.69
ITGA2B P08514 7/20 0.69
FFAR1 O14842 4/20 0.39
HTR6 P50406 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
SLC8A1 P32418 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6948869 0.90 ITGB3 (0.56) ITGB3ITGA2BFFAR1HTR6NPC1
SCHEMBL6957000 0.81 ITGB3 (0.51) ITGB3ITGA2BFFAR1SLC8A1PPARD
Trifluoroacetic Acid SCHEMBL6950246 0.79 ITGB3 (0.89) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6953730 0.72 ITGB3 (0.77) ITGB3ITGA2B
SCHEMBL6954435 0.72 ITGB3 (0.41) ITGB3ITGA2BFFAR1SLC8A1CYP4F2
SCHEMBL6950251 0.71 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL6957259 0.71 GPR119 (0.54) ITGB3ITGA2B
SCHEMBL10635827 0.70 ITGB3 (0.60) ITGB3ITGA2BFFAR1HTR6SLC8A1
Hydrochloric Acid SCHEMBL6953799 0.70 ITGB3 (0.64) ITGB3ITGA2BFFAR1HTR6NPC1
SCHEMBL5637346 0.69 ITGB3 (0.59) ITGB3ITGA2BFFAR1PPARDPPARA

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 294/4885FFAR1 3505/4885

“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.