SCHEMBL6949562

SCHEMBL6949562

CCOC(=O)CC1CCc2cc(NC(=O)c3ccc(C=NNC(=O)OCC)cc3F)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
KMT2A Q03164 4/20 0.39
MIF P14174 1/20 0.39
RAB9A P51151 6/20 0.38
POLB P06746 5/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 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
SCHEMBL6959165 0.96 ITGB3 (0.41) CYP1A2ITGB3ITGA2BSMN1; SMN2KMT2A
SCHEMBL6959424 0.96 ITGB3 (0.39) CYP1A2ITGB3ITGA2BSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6953870 0.89 ITGB3 (0.44) ITGB3ITGA2BSMN1; SMN2RAB9APOLB
SCHEMBL6957431 0.88 ITGB3 (0.52) CYP1A2ITGB3ITGA2BSMN1; SMN2KMT2A
SCHEMBL6954015 0.84 ITGB3 (0.51) CYP1A2ITGB3ITGA2BSMN1; SMN2KMT2A
SCHEMBL6959308 0.84 ITGB3 (0.49) CYP1A2ITGB3ITGA2BSMN1; SMN2KMT2A
SCHEMBL6949560 0.82 ITGB3 (0.49) CYP1A2ITGB3ITGA2BSMN1; SMN2RAB9A
SCHEMBL7081251 0.82 ALDH1A1 (0.47) ITGB3ITGA2BSMN1; SMN2KMT2AMAPT
SCHEMBL6803277 0.81 ITGB3 (0.60) ITGB3ITGA2B
SCHEMBL6959161 0.81 ITGB3 (0.49) ITGB3ITGA2BSMN1; SMN2RAB9ANPC1

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 CYP1A2 3254/4885ITGB3 653/4885ITGA2B 294/4885

“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.