SCHEMBL6553101

SCHEMBL6553101

O=S(=O)(Oc1cc(OCC2CCNCC2)c2ccccc2c1)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.49
CTRC Q99895 2/20 0.49
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
HTR3A P46098 1/20 0.47
KCNH2 Q12809 1/20 0.47
F10 P00742 2/20 0.47
PRSS2 P07478 2/20 0.47
HTR6 P50406 2/20 0.45
MAP2K1 Q02750 1/20 0.42
SLC6A3 Q01959 2/20 0.41
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38

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
Hydrochloric Acid SCHEMBL6553096 0.99 F2 (0.48) F2CTRCSLC6A2SLC6A4HTR3A
SCHEMBL7496894 0.92 SLC6A2 (0.50) F2CTRCSLC6A2SLC6A4HTR3A
Hydrochloric Acid SCHEMBL7496883 0.91 SLC6A2 (0.49) F2CTRCSLC6A2SLC6A4HTR3A
SCHEMBL7451123 0.82 F2 (0.47) F2CTRCSLC6A2SLC6A4HTR3A
SCHEMBL7451365 0.81 F2 (0.67) F2CTRCSLC6A2SLC6A4HTR3A
SCHEMBL6553019 0.81 F2 (0.73) F2CTRCF10PRSS2
Acetic Acid SCHEMBL6552978 0.80 F2 (0.69) F2CTRCF10PRSS2
SCHEMBL6554465 0.80 F2 (0.55) F2CTRCF10PRSS2
Acetic Acid SCHEMBL7451219 0.79 F2 (0.68) F2CTRCF10PRSS2
Acetic Acid SCHEMBL7604487 0.79 F2 (0.51) F2CTRCF10PRSS2

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 7 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

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 154/4885CTRC 25/4885SLC6A2 4823/4885

“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.