SCHEMBL7668562

SCHEMBL7668562

N=C(NCCc1ccccc1)c1ccc(C2=NOC(CN3CCC(OCC(=O)O)CC3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.45
ITGA2B P08514 12/20 0.45
ITGB2 P05107 2/20 0.42
ITGAM P11215 2/20 0.42
PTGIR P43119 1/20 0.38
MIF P14174 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7670126 0.89 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7672114 0.88 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7671083 0.88 ITGB3 (0.48) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7670581 0.88 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAMMIF
SCHEMBL7533130 0.87 ITGB3 (0.48) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7674385 0.85 MAPT (0.43) ITGB3ITGA2BMEN1KMT2ALMNA
SCHEMBL7527805 0.84 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7674119 0.83 ITGB3 (0.54) ITGB3ITGA2BITGB2ITGAM
SCHEMBL7374453 0.83 MIF (0.36) ITGB3ITGA2BPTGIRMIF
SCHEMBL7524935 0.81 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US claimed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-6455560-B1 SUBSTITUTED (1-((3-ISOXAZOLIN-5-YL)CARBONYL/METHYL) -4-PIPERIDINYL) ACETIC ACID FOR USE IN INHIBITING THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS AND FOR INHIBITING THE AGGREGATION OF BLOOD PLATELETS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US disclosed
US-6319937-B1 INHIBITION OF PLATELET AGGREGATION, AS THROMBOLYTICS, AND/OR TREATMENT OF THROMBOEMBOLIC DISORDERS. DUPONT PHARMACEUTICALS COMPANY 2001-11-20 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-20020082253-A1 Novel isoxazoline fibrinogen receptor antagonists FGB, F2, F13B ITGB3 268/4885ITGA2B 95/4885ITGB2 168/4885

“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.