SCHEMBL5383206

SCHEMBL5383206

CCc1cc(C(=O)Nc2ncc(-c3ccccc3S(C)(=O)=O)cn2)n(-c2ccc3onc(N)c3c2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.59
F2 P00734 5/20 0.59
F9 P00740 1/20 0.59
PLAU P00749 1/20 0.59
PROC P04070 1/20 0.59
CTRB1 P17538 1/20 0.59
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48

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
SCHEMBL6160786 0.87 F10 (0.77) F10F2F9PLAUPROC
SCHEMBL5386713 0.87 F10 (0.66) F10F2F9PLAUPROC
Trifluoroacetic Acid SCHEMBL5377884 0.85 F10 (0.73) F10F2F9PLAUPROC
SCHEMBL5384316 0.73 F10 (0.65) F10F2F9PROCCTRB1
SCHEMBL6162242 0.73 F10 (0.78) F10F2F9PLAUPROC
SCHEMBL5376220 0.73 F10 (0.77) F10F2F9PROCCTRB1
SCHEMBL28745801 0.72 F10 (0.68) F10F2F9PROCCTRB1
SCHEMBL6171440 0.72 F10 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL5382532 0.72 F10 (0.54) F10F2F9PLAUPROC
SCHEMBL5391656 0.72 F10 (0.62) F10F2F9PROCCTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP claimed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US claimed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US claimed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 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 (3 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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 F10 37/4885F2 5/4885F9 6/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 F10 8/4885F2 11/4885F9 5/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI F10 11/4885F2 18/4885F9 7/4885

“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.