SCHEMBL6475503

SCHEMBL6475503

COc1cc(C(=N)N)ccc1CNC(=O)[C@H]1CCCN1C(=O)C(CO)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.50
F10 P00742 3/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
F12 P00748 1/20 0.43
F7 P08709 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TMPRSS11D O60235 5/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6477356 0.82 F2 (0.51) F2F10PRSS1PRSS2PRSS3
SCHEMBL6477281 0.81 F2 (0.51) F2F10PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL6484482 0.81 F2 (0.57) F2F10PRSS1PRSS2PRSS3
SCHEMBL6476532 0.80 F2 (0.49) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8381908 0.80 F2 (0.56) F2PRSS1ALDH1A1
SCHEMBL6477266 0.80 F2 (0.53) F2F10PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL8378102 0.79 F2 (0.53) F2F10TMPRSS11D
Acetic Acid SCHEMBL8378098 0.79 F2 (0.53) F2F10TMPRSS11D
SCHEMBL6487722 0.78 F2 (0.50) F2ALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL8378231 0.78 F2 (0.53) F2F10ALDH1A1TMPRSS11D

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 F2 5/4885F10 23/4885PRSS1 53/4885

“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.