SCHEMBL6482270

SCHEMBL6482270

N=C(N)c1ccc(C(N)=O)cn1.O=C(CNCC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1)OC1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
F2 P00734 11/20 0.33
PRSS1 P07477 6/20 0.33
TPSAB1 Q15661 5/20 0.33
TPSD1 Q9BZJ3 5/20 0.33
TPSG1 Q9NRR2 5/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33
PLG P00747 4/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32
F10 P00742 1/20 0.32
PLAT P00750 1/20 0.32

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
SCHEMBL6485408 0.92 ITGB3 (0.34) ITGB3ITGA2BF2PRSS1OPRK1
SCHEMBL6487745 0.90 ITGB3 (0.36) ITGB3ITGA2BF2PRSS1OPRK1
SCHEMBL6485866 0.89 ITGB3 (0.33) ITGB3ITGA2BF2PRSS1OPRK1
Hydrochloric Acid SCHEMBL6485317 0.89 ITGB3 (0.38) ITGB3ITGA2BF2PRSS1OPRK1
SCHEMBL6475692 0.86 ITGB3 (0.36) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL6476916 0.85 OPRM1 (0.31) OPRK1
Acetic Acid SCHEMBL6488369 0.85 F2 (0.35) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL8722615 0.84 HRH3 (0.34) ITGB3ITGA2BHRH3F2PRSS1
SCHEMBL6484519 0.83 ITGB3 (0.36) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL6482023 0.83 FAP (0.30) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 ITGB3 1031/4885ITGA2B 382/4885CXCR1 324/4885

“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.