SCHEMBL6347259

SCHEMBL6347259

NS(=O)(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ F10 P00742 2/20 0.45
▸ PLG P00747 2/20 0.45
▸ ST14 Q9Y5Y6 2/20 0.45
▸ XIAP P98170 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ CA2 P00918 1/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ ACE P12821 6/20 0.42
▸ ACE2 Q9BYF1 4/20 0.42
▸ HTT P42858 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
SCHEMBL6778981 0.85 ACE (0.53) TSHRLTA4HACEACE2
SCHEMBL6778573 0.79 ACE (0.60) TSHRXIAPF2ACEACE2
SCHEMBL6777165 0.77 ACE (0.64) TSHRXIAPTACR1ACEACE2
SCHEMBL8655052 0.76 LTA4H (0.59) LTA4HACEACE2
SCHEMBL8655055 0.76 LTA4H (0.59) LTA4HACEACE2
SCHEMBL6438372 0.75 ACE (0.58) LTA4HACEACE2
SCHEMBL8378226 0.75 ACE (0.58) LTA4HACEACE2
SCHEMBL6438368 0.75 ACE (0.58) LTA4HACEACE2
SCHEMBL10403636 0.74 LTA4H (0.57) F10PLGST14F2PLAU
SCHEMBL7321460 0.73 ACE (0.77) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864249-B2 Pharmaceutical compositions containing them are of the class of thrombin inhibitors which are useful as anticoagulants. LG LIFE SCIENCES, LTD. (KR) 2005-03-08 — — US disclosed
EP-1140918-B1 THROMBIN INHIBITORS LG LIFE SCIENCES LTD (KR) 2004-08-11 — — EP disclosed
US-6774110-B2 ANTITHROMBOTIC ACTIVITY AND HIGH ORAL BIOAVAILABILITY; E.G. N-AMINOSULFONYL-D-DIPHENYLALANYL-L-PROLYL-((4-AMIDINOPHENYL)METHYL)AMIDE LG LIFE SCIENCES LTD. (KR) 2004-08-10 — — US disclosed
US-20030134801-A1 Pharmaceutical compositions containing them are of the class of thrombin inhibitors which are useful as anticoagulants. LG LIFE SCIENCES, LTD. 2003-07-17 — — US disclosed
US-6492402-B1 ANTICOAGULANTS; PEPTIDE DERIVATIVES HAVING HIGH ANTITHROMBOTIC ACTIVITY AND ORAL BIOAVAILABILITY LG LIFE SCIENCES, LTD. (KR) 2002-12-10 — — US disclosed
US-20020169113-A1 Orally available peptidic thrombin inhibitors LG LIFE SCIENCES LTD. (KR) 2002-11-14 — — 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 (2 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-20020169113-A1 Orally available peptidic thrombin inhibitors F2, SERPINC1, TFPI TSHR 810/4885F10 65/4885PLG 34/4885
US-20030134801-A1 Pharmaceutical compositions containing them are of the class of thrombin inhibitors which are useful as anticoagulants. SERPINC1, F2, F12 TSHR 1877/4885F10 11/4885PLG 37/4885

“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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