SCHEMBL16523930

SCHEMBL16523930

CCC[C@H]1C(=O)N(C(C)c2ccccc2)C[C@H]2N1C(=O)CN(C)N2C(=O)NCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 4/20 0.38
▸ CYP3A4 P08684 6/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ CCR5 P51681 2/20 0.36
▸ TCF4 P15884 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ SLC1A2 P43004 1/20 0.35

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
SCHEMBL10224709 1.00 CLPP (0.38) CLPPCYP3A4ALDH1A1KCNA5CCR5
SCHEMBL744695 1.00 CLPP (0.38) CLPPCYP3A4ALDH1A1KCNA5CCR5
SCHEMBL16523994 0.95 CTSK (0.38) CLPPCYP3A4ALDH1A1KCNA5CCR5
SCHEMBL744694 0.95 CTSK (0.38) CLPPCYP3A4ALDH1A1KCNA5CCR5
SCHEMBL10224716 0.95 CTSK (0.38) CLPPCYP3A4ALDH1A1KCNA5CCR5
SCHEMBL747599 0.94 ALDH1A1 (0.38) CLPPCYP3A4ALDH1A1KMT2A
SCHEMBL747186 0.94 METAP2 (0.40) CLPPCYP3A4ALDH1A1KMT2A
SCHEMBL746174 0.94 METAP2 (0.40) CLPPCYP3A4ALDH1A1KMT2A
SCHEMBL16524015 0.93 CCR5 (0.42) CLPPCYP3A4CCR5TCF4CTNNB1
SCHEMBL750763 0.93 CCR5 (0.42) CLPPCYP3A4CCR5TCF4CTNNB1

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-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2015-02-26 — — 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-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CLPP 4096/4885CYP3A4 4757/4885ALDH1A1 4305/4885

“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.

Send feedback