SCHEMBL763541

SCHEMBL763541

C=CCN1CC(=O)N2[C@@H](Cc3ccc(OP(=O)(O)O)cc3)C(=O)N(Cc3cccc4ccn(S(=O)(=O)c5ccc(Cl)cc5)c34)C[C@@H]2N1C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 1/20 0.59
CTNNB1 P35222 1/20 0.59
CYP3A4 P08684 19/20 0.57

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
SCHEMBL10291465 0.94 TCF4 (0.59) TCF4CTNNB1CYP3A4
SCHEMBL16510506 0.93 CYP3A4 (0.57) TCF4CTNNB1CYP3A4
SCHEMBL2890703 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL2875935 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL10291470 0.93 CYP3A4 (0.66) CYP3A4
SCHEMBL763324 0.90 CYP3A4 (0.63) CYP3A4
SCHEMBL763545 0.89 CYP3A4 (0.63) CYP3A4
SCHEMBL12173443 0.87 TCF4 (0.56) TCF4CTNNB1CYP3A4
SCHEMBL762652 0.87 TCF4 (0.53) TCF4CTNNB1CYP3A4
SCHEMBL2899810 0.87 CYP3A4 (0.68) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 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-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC TCF4 60/4885CTNNB1 9/4885CYP3A4 3595/4885

“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.