SCHEMBL744697

SCHEMBL744697

C[C@H](c1ccccc1)N1C[C@H]2N(C(=O)CN(C)N2C(=O)NCc2ccccc2)[C@@H](CC(=O)O)C1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ CYP3A4 P08684 8/20 0.39
▸ CLPP Q16740 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ TCF4 P15884 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36

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
SCHEMBL762247 1.00 ITGB1 (0.41) ITGB1ITGA5CYP3A4CLPPALDH1A1
SCHEMBL12153821 0.94 ALDH1A1 (0.39) ITGB1ITGA5CYP3A4CLPPALDH1A1
SCHEMBL749196 0.94 ALDH1A1 (0.39) ITGB1ITGA5CYP3A4CLPPALDH1A1
SCHEMBL748754 0.94 ALDH1A1 (0.39) ITGB1ITGA5CYP3A4CLPPALDH1A1
SCHEMBL746033 0.94 ALDH1A1 (0.39) ITGB1ITGA5CYP3A4CLPPALDH1A1
SCHEMBL748435 0.93 CCR5 (0.41) CYP3A4CLPPTCF4CTNNB1CREBBP
SCHEMBL747805 0.93 CCR5 (0.41) CYP3A4CLPPTCF4CTNNB1CREBBP
SCHEMBL10259881 0.93 CCR5 (0.41) CYP3A4CLPPTCF4CTNNB1CREBBP
SCHEMBL761921 0.92 CYP3A4 (0.44) CYP3A4CLPPTCF4CTNNB1CREBBP
SCHEMBL14629509 0.92 CYP3A4 (0.44) CYP3A4CLPPTCF4CTNNB1CREBBP

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 32 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-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-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
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 — — 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 ITGB1 4214/4885ITGA5 4440/4885CYP3A4 4757/4885
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 ITGB1 4214/4885ITGA5 4440/4885CYP3A4 4757/4885
US-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 ITGB1 4214/4885ITGA5 4440/4885CYP3A4 4757/4885

“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.

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