SCHEMBL749931

SCHEMBL749931

CC(C)C[C@H]1C(=O)N(Cc2ccc3c(c2)OCO3)C[C@H]2N1C(=O)CN(C)N2C(=O)NCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.45
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL748403 0.93 CLPP (0.52) CLPPCYP3A4ALDH1A1LMNAHPGD
SCHEMBL749555 0.91 MCHR1 (0.45) CLPPCYP3A4ALDH1A1LMNAMAPT
SCHEMBL745912 0.90 CLPP (0.42) CLPPCYP3A4ALDH1A1LMNANPSR1
SCHEMBL748930 0.90 CYP3A4 (0.42) CLPPCYP3A4ALDH1A1LMNAMAPT
SCHEMBL746925 0.90 CLPP (0.49) CLPPCYP3A4ALDH1A1
SCHEMBL745907 0.90 CLPP (0.49) CLPPCYP3A4LMNANPSR1SMN1; SMN2
SCHEMBL745911 0.89 CLPP (0.41) CLPPCYP3A4ALDH1A1LMNANPSR1
SCHEMBL747503 0.89 CYP3A4 (0.51) CLPPCYP3A4
SCHEMBL10258301 0.89 CYP3A4 (0.42) CLPPCYP3A4ALDH1A1LMNAMAPT
SCHEMBL748926 0.89 CYP3A4 (0.51) CLPPCYP3A4

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 29 patents — showing the first 20. 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
US-8729262-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2014-05-20 US disclosed
US-8729262-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2014-05-20 US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed
US-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 US disclosed
US-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 US disclosed
US-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 US disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
US-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Chongwae Pharma Corporation (KR) 2010-02-04 US disclosed
US-7585862-B2 Colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss CHOONGWAE PHARMA CORPORATION (KR) 2009-09-08 US disclosed
US-7585862-B2 Colorectal cancer, restenosis associated with angioplasty, polycystic kidney disease, aberrant angiogenesis disease, rheumatoid arthritis disease, tuberous sclerosis complex, Alzheimer's disease, excess hair growth or loss CHOONGWAE PHARMA CORPORATION (KR) 2009-09-08 US disclosed
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 US disclosed
US-7576084-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-08-18 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed
US-7566711-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2009-07-28 US disclosed
US-7232822-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-06-19 US disclosed
US-7232822-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-06-19 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-20100029630-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CLPP 4096/4885CYP3A4 4757/4885ALDH1A1 4305/4885
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.