SCHEMBL762689

SCHEMBL762689

COc1ccc(CNC(=O)N2[C@H]3CN(Cc4ccc(F)cc4F)C(=O)[C@H](c4ccccc4)N3C(=O)CN2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.43
CLPP Q16740 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK5 O95279 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNK17 Q96T54 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TCF4 P15884 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
SCHEMBL749260 0.94 CLPP (0.40) CYP3A4CLPPMEN1KMT2A
SCHEMBL10224766 0.93 BCHE (0.40) CYP3A4CLPP
SCHEMBL748966 0.91 KMT2A (0.47) CYP3A4CLPPMEN1KMT2ACYP2D6
SCHEMBL750582 0.91 KMT2A (0.47) CYP3A4CLPPMEN1KMT2ACYP2D6
SCHEMBL10226562 0.89 CYP3A4 (0.53) CYP3A4CLPPTCF4CTNNB1
SCHEMBL762630 0.89 MEN1 (0.50) CYP3A4CLPPMEN1KMT2ACYP2D6
SCHEMBL750679 0.88 MEN1 (0.51) CYP3A4CLPPMEN1KMT2ACYP2D6
SCHEMBL745996 0.88 MEN1 (0.51) CYP3A4CLPPMEN1KMT2ACYP2D6
SCHEMBL10226570 0.88 CYP3A4 (0.45) CYP3A4CLPPMEN1KMT2ATCF4
SCHEMBL745899 0.88 MEN1 (0.49) CYP3A4CLPPMEN1KMT2APOLB

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 28 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-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-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 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-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2011-12-01 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 (3 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 CYP3A4 4757/4885CLPP 4096/4885MEN1 336/4885
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CYP3A4 4757/4885CLPP 4096/4885MEN1 336/4885
US-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CYP3A4 4757/4885CLPP 4096/4885MEN1 336/4885

“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.