SCHEMBL7528706

SCHEMBL7528706

CC(C)CNC(=N)c1ccc(C2=NOC(CN3CCN(CC(=O)O)CC3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.44
ITGA2B P08514 16/20 0.44
ITGB2 P05107 2/20 0.44
ITGAM P11215 2/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MIF P14174 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL7532566 0.88 ITGB3 (0.45) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7528225 0.86 ITGB3 (0.46) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7533130 0.84 ITGB3 (0.48) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7536611 0.82 ITGB3 (0.58) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7527805 0.81 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7534709 0.80 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMNPC1
SCHEMBL7532410 0.80 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAMNPC1
SCHEMBL7528722 0.80 MIF (0.41) ITGB3ITGA2BNPC1HPGDRAB9A
SCHEMBL7529281 0.80 ITGB3 (0.57) ITGB3ITGA2BITGB2ITGAMF2
SCHEMBL7534058 0.79 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476226-B2 PLATELET GLYCOPROTEIN IIB/IIIA FIBRINOGEN; ANTICOAGULANTS; THROMBOLYTIC AGENTS; THROMBOEMBOLIC DISORDERS; ANTIINFLAMMATORY AGENTS; BONE DISORDERS; ANTITUMOR, -METASTASIS, -ARTHRITIC AGENTS; ASTHMA; PSORIASIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-05 US disclosed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 US disclosed
US-6303609-B1 USED FOR THE INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-10-16 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-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists F13B, F11, FGB ITGB3 74/4885ITGA2B 41/4885ITGB2 93/4885

“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.