SCHEMBL14629232

SCHEMBL14629232

O=C1[C@H](Cc2ccccc2)N2C(=O)CN(CI)N(C(=O)NCc3ccccc3)[C@H]2CN1Cc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.51
CYP3A4 P08684 16/20 0.50
CTNNB1 P35222 3/20 0.48
TCF4 P15884 2/20 0.48
TCF7 P36402 2/20 0.48
BCL9 O00512 1/20 0.48
CREBBP Q92793 1/20 0.48

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
SCHEMBL13184860 0.93 CYP3A4 (0.52) CLPPCYP3A4
SCHEMBL14629224 0.91 CLPP (0.44) CLPPCYP3A4CTNNB1TCF4
SCHEMBL748477 0.90 CLPP (0.49) CLPPCYP3A4CTNNB1TCF4
SCHEMBL14629223 0.90 CYP3A4 (0.57) CLPPCYP3A4CTNNB1TCF4TCF7
SCHEMBL748815 0.89 CLPP (0.52) CLPPCYP3A4CTNNB1TCF4TCF7
SCHEMBL747910 0.88 CYP3A4 (0.66) CYP3A4
SCHEMBL748794 0.88 CYP3A4 (0.66) CYP3A4
SCHEMBL2875135 0.88 CYP3A4 (0.66) CYP3A4
SCHEMBL748397 0.88 CYP3A4 (0.66) CYP3A4
SCHEMBL12156642 0.88 CYP3A4 (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 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-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CLPP 4096/4885CYP3A4 4757/4885CTNNB1 14/4885

“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.