SCHEMBL6553022

SCHEMBL6553022

O=S(=O)(Oc1cccc(OCc2ccccc2)c1)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 7/20 0.57
▸ F10 P00742 2/20 0.57
▸ MAOB P27338 5/20 0.50
▸ AR P10275 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ SPHK2 Q9NRA0 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.46
▸ MGLL Q99685 1/20 0.45
▸ PRSS2 P07478 2/20 0.45
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ CTRC Q99895 2/20 0.44

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
SCHEMBL7435413 0.86 F2 (0.74) F2F10PRSS2CTRC
SCHEMBL6552973 0.86 F2 (0.52) F2F10MAOBMAOACTRC
SCHEMBL6554419 0.84 F2 (0.81) F2F10CTRC
Hydrochloric Acid SCHEMBL6554415 0.83 F2 (0.80) F2F10CTRC
SCHEMBL6554508 0.80 F2 (0.49) F2F10PRSS2CTRC
SCHEMBL196710 0.79 TDP1 (0.52) F2F10PRSS2CTRC
SCHEMBL30217935 0.79 TDP1 (0.52) F2F10PRSS2CTRC
SCHEMBL7447142 0.77 F2 (0.46) F2F10PRSS2CTRC
SCHEMBL31487931 0.77 MAOB (0.63) MAOBARMAOANR4A2MGLL
SCHEMBL27635587 0.77 MAOB (0.63) MAOBARMAOANR4A2MGLL

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 15 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
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 — — 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-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 — — EP 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
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 — — EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 — — US disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 — — WO disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 — — 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 296/4885MAOB 1421/4885

“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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