Sugi Predict

Sugi Predict / Compounds / SCHEMBL7529801

SCHEMBL7529801

SCHEMBL7529801

N=C(c1ccc(C2=NOC(C=C3CCN(CC(=O)O)CC3)C2)cc1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.38
▸ ITGA2B P08514 12/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ ITGB2 P05107 1/20 0.34
▸ ITGAM P11215 1/20 0.34
▸ APC P25054 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ F10 P00742 2/20 0.33
▸ MIF P14174 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MAOA P21397 1/20 0.33

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
SCHEMBL7525420 0.87 ITGB3 (0.35) ITGB3ITGA2BALDH1A1ITGB2ITGAM
SCHEMBL7526434 0.86 ITGB3 (0.47) ITGB3ITGA2BITGB2ITGAMF10
SCHEMBL7527828 0.81 ITGB3 (0.42) ITGB3ITGA2BITGB2ITGAMRAB9A
SCHEMBL7448290 0.81 ALDH1A1 (0.36) ALDH1A1CYP1A2RAB9AMIFHSD17B10
SCHEMBL7526279 0.80 ITGB3 (0.38) ITGB3ITGA2BALDH1A1CYP1A2ITGB2
SCHEMBL7451444 0.79 MIF (0.35) ITGB3ITGA2BALDH1A1CYP1A2RAB9A
SCHEMBL7534732 0.79 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMRAB9A
SCHEMBL7523226 0.79 ITGB3 (0.43) ITGB3ITGA2BITGB2ITGAMRAB9A
SCHEMBL7527227 0.78 ITGB3 (0.41) ITGB3ITGA2BALDH1A1ITGB2ITGAM
SCHEMBL7448282 0.76 ITGB3 (0.36) ITGB3ITGA2BALDH1A1F10HSD17B10

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-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 claimed
US-20020094978-A1 Novel isoxazoline fibrinogen receptor antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-18 — — US claimed
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 41/4885ALDH1A1 702/4885

“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.