SCHEMBL3869641

SCHEMBL3869641

N=C(N)N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.49
ACE P12821 2/20 0.48
PPARA Q07869 5/20 0.45
ICMT O60725 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 4/20 0.41
ALOX5 P09917 1/20 0.40
PPARD Q03181 2/20 0.40

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
SCHEMBL4826295 1.00 C3AR1 (0.49) C3AR1ACEPPARAICMTTDP1
SCHEMBL3863460 0.90 C3AR1 (0.48) C3AR1ACEPPARAICMTTDP1
SCHEMBL4818632 0.90 C3AR1 (0.48) C3AR1ACEPPARAICMTTDP1
SCHEMBL3863097 0.88 ACE (0.46) C3AR1ACEPPARAICMTTDP1
SCHEMBL4822498 0.87 C3AR1 (0.46) C3AR1ACEPPARAICMTTDP1
SCHEMBL3862999 0.87 ICMT (0.50) C3AR1ACEPPARAICMTTDP1
SCHEMBL4823549 0.87 ACE (0.47) C3AR1ACEPPARAICMTTDP1
SCHEMBL4824252 0.87 ACE (0.47) C3AR1ACEPPARAICMTTDP1
SCHEMBL3869501 0.87 ACE (0.47) C3AR1ACEPPARAICMTTDP1
SCHEMBL3863000 0.87 ICMT (0.50) C3AR1ACEPPARAICMTTDP1

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
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ C3AR1 3702/4885ACE 978/4885PPARA 314/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO C3AR1 3309/4885ACE 1006/4885PPARA 406/4885

“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.