SCHEMBL6957291

SCHEMBL6957291

CC1(C)CC(CC(=O)O)Oc2ccc(NC(=O)c3ccc(C=NN)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGA2B P08514 11/20 0.47
CYP26A1 O43174 4/20 0.42
CYP26B1 Q9NR63 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
TBXA2R P21731 1/20 0.41
BLVRB P30043 1/20 0.41
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 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
SCHEMBL7344933 0.90 RAB9A (0.38) ITGB3ITGA2BCYP26A1CYP26B1MEN1
Hydrochloric Acid SCHEMBL6956893 0.89 RAB9A (0.37) ITGB3ITGA2BCYP26A1CYP26B1MEN1
SCHEMBL6957279 0.85 ITGB3 (0.65) ITGB3ITGA2BCYP26A1CYP26B1MEN1
Hydrochloric Acid SCHEMBL8543282 0.84 ITGB3 (0.64) ITGB3ITGA2BCYP26A1CYP26B1MEN1
SCHEMBL6959076 0.80 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL7344913 0.76 ITGB3 (0.51) ITGB3ITGA2BCYP26A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6956883 0.75 ITGB3 (0.50) ITGB3ITGA2BCYP26A1MEN1KMT2A
SCHEMBL6948847 0.73 RAB9A (0.41) CYP26A1MEN1KMT2APGRCYP3A4
Hydrochloric Acid SCHEMBL6953707 0.72 ITGB3 (0.58) ITGB3ITGA2BRAB9ANPC1SMN1; SMN2
SCHEMBL6953125 0.72 ITGB3 (0.67) ITGB3ITGA2BMEN1KMT2AMAPT

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 294/4885CYP26A1 3294/4885

“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.