SCHEMBL6553041

SCHEMBL6553041

Cc1cc(OCc2cccc(C#N)c2)cc(OS(=O)(=O)c2ccccc2Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 17/20 0.67
▸ F10 P00742 4/20 0.67
▸ CTRC Q99895 6/20 0.55
▸ GRM5 P41594 1/20 0.54
▸ PRSS2 P07478 6/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL6552927 0.90 F2 (0.68) F2F10CTRCPRSS2
SCHEMBL6552973 0.89 F2 (0.52) F2F10CTRCGRM5MRGPRX4
SCHEMBL7435413 0.86 F2 (0.74) F2F10CTRCGRM5PRSS2
SCHEMBL6553012 0.80 F2 (1.00) F2F10CTRCPRSS2
Hydrochloric Acid SCHEMBL6553008 0.79 F2 (0.98) F2F10CTRCPRSS2
SCHEMBL6553127 0.79 F2 (0.79) F2F10CTRCPRSS2
Hydrochloric Acid SCHEMBL6552994 0.78 F2 (0.78) F2F10CTRCPRSS2
Hydrochloric Acid SCHEMBL6552963 0.78 F2 (0.78) F2F10CTRCPRSS2
SCHEMBL6553204 0.78 F2 (0.67) F2F10CTRCPRSS2
SCHEMBL27533226 0.77 F2 (0.71) F2F10CTRCPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883405-B1 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-02-25 — — EP disclosed
US-6414020-B2 ANTIPROTEOLYTIC AMIDINO OR DERIVATIVE USEFUL FOR TREATING PENCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION 3- DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-02 — — US disclosed
US-20010025041-A1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-27 — — US disclosed
US-6281206-B1 AMIDINO AND BENZAMIDINO COMPOUNDS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-08-28 — — US disclosed
US-6225302-B1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-01 — — US disclosed
US-6133315-A ADMINISTERING TO TREAT PANCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION IN A MAMMAL; COMPOUNDS SUCH AS 2-CHLOROBENZENESULFONIC ACID 3-(3-AMIDINOPROPOXY)-5-METHYLPHENYL ESTER HYDROCHLORIDE 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-10-17 — — US disclosed
US-6034127-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-07 — — US disclosed
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 — — EP disclosed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 — — EP disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO 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-20010025041-A1 Amidino protease inhibitors CTRL, PEPD, PRSS3 F2 154/4885F10 296/4885CTRC 25/4885

“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.

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