SCHEMBL13430486

SCHEMBL13430486

CN(C(=O)NCc1ccccc1)N(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ATM Q13315 1/20 0.42
RIPK1 Q13546 1/20 0.42
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
CTSK P43235 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
PPID Q08752 1/20 0.39
MMP8 P22894 1/20 0.39
AKT1 P31749 2/20 0.38
HPGD P15428 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
SCHEMBL13430488 0.87 PPID (0.51) OPRM1OPRL1CA12CA1CA7
SCHEMBL13430499 0.82 L3MBTL1 (0.39) OPRM1OPRL1CA12CA1CA7
SCHEMBL4193440 0.78 CA12 (0.47) OPRM1OPRL1CA12CA1CA7
SCHEMBL7372816 0.77 L3MBTL1 (0.44) SMN1; SMN2CTSLCTSBCTSSHPGD
SCHEMBL31248355 0.76 PRSS1 (0.52) CA12CA1CA7CA14RIPK1
SCHEMBL4246502 0.76 CA12 (0.46) OPRM1OPRL1CA12CA1CA7
SCHEMBL4246507 0.74 AKT1 (0.53) OPRM1OPRL1CA12CA1CA7
SCHEMBL4254554 0.74 PPID (0.48) CA12CA1CA7CA14ATM
SCHEMBL8837264 0.72 HDAC1 (0.51) CA12CA1CA7CA14RIPK1
SCHEMBL4256142 0.72 AKT1 (0.45) OPRM1OPRL1CA12CA1CA7

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957516-B1 ALFA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORP (KR) 2016-03-09 EP disclosed
US-8293743-B2 Substituted imidazo[1,2-A]pyrazine derivatives as alpha-helix mimetics and method relating to the treatment of cancer stem cells CHOONGWAE PHARMA CORPORATION (KR) 2012-10-23 US disclosed
US-8293743-B2 Substituted imidazo[1,2-A]pyrazine derivatives as alpha-helix mimetics and method relating to the treatment of cancer stem cells CHOONGWAE PHARMA CORPORATION (KR) 2012-10-23 US disclosed
US-20100069333-A1 ALPHA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORPORATION (KR) 2010-03-18 US disclosed
US-20100069333-A1 ALPHA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORPORATION (KR) 2010-03-18 US disclosed
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-07-09 US disclosed
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2009-07-09 US disclosed
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-10-02 US disclosed
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS UNIVERSITY OF WASHINGTON (US) 2008-10-02 US disclosed
US-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders INSTITUTE FOR CHEMICAL GENOMICS 2008-01-10 US disclosed
US-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders INSTITUTE FOR CHEMICAL GENOMICS 2008-01-10 US disclosed
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells INSTITUTE FOR CHEMICAL GENOMICS 2007-06-07 US disclosed
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells INSTITUTE FOR CHEMICAL GENOMICS 2007-06-07 US disclosed
WO-2007056513-A1 α-HELIX MIMETICS AND METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-05-18 WO disclosed
WO-2007056593-A2 α-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS CHOONGWAE PHARMA CORPORATION (KR) 2007-05-18 WO 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 (5 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-20080009500-A1 Alpha-helix mimetics and methods relating to the treatment of fibrotic disorders COL1A1, COL2A1, PLOD3 OPRM1 3874/4885OPRL1 3763/4885CA12 3613/4885
US-20080242669-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS NR3C1, RXFP3, NR2E3 OPRM1 467/4885OPRL1 1079/4885CA12 630/4885
US-20070129353-A1 Alpha-helix mimetics and method relating to the treatment of cancer stem cells MCL1, HNF4A, THPO OPRM1 3008/4885OPRL1 2342/4885CA12 2303/4885
US-20090176742-A1 METHODS RELATING TO THE TREATMENT OF FIBROTIC DISORDERS RXFP3, NR3C1, NR2E3 OPRM1 412/4885OPRL1 812/4885CA12 557/4885
US-20100069333-A1 ALPHA-HELIX MIMETICS AND METHOD RELATING TO THE TREATMENT OF CANCER STEM CELLS MCL1, HNF4A, THPO OPRM1 2926/4885OPRL1 2287/4885CA12 2179/4885

“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.