SCHEMBL1736661

SCHEMBL1736661

O=C(Cc1ccccc1)NCP(=O)(Oc1cccc(C(=O)O)c1)Oc1cccc(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NR1H4 Q96RI1 1/20 0.46
AKR1C3 P42330 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SMPD1 P17405 1/20 0.43
ALDH1A1 P00352 1/20 0.43
USP2 O75604 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
SRD5A2 P31213 1/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL1736660 0.89 NR4A2 (0.49) NR4A2KMT2AMEN1NR1H4AKR1C3
SCHEMBL3661541 0.86 PLAU (0.48) NR4A2KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29375550 0.77 NR4A2 (0.52) NR4A2KMT2AMEN1NR1H4AKR1C3
SCHEMBL11774367 0.74 NPC1 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL16011563 0.73 NR4A2 (0.66) NR4A2KMT2AMEN1NR1H4AKR1C3
SCHEMBL17400975 0.73 NR4A2 (0.61) NR4A2KMT2AMEN1NR1H4AKR1C3
SCHEMBL18486571 0.71 AKR1C3 (0.61) NR4A2KMT2ANR1H4AKR1C3MRGPRX4
SCHEMBL28845536 0.70 AKR1C3 (0.61) NR4A2KMT2ANR1H4AKR1C3RAB9A
SCHEMBL24359722 0.70 SRC (0.48) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL9178371 0.70 AKR1C3 (0.59) NR4A2KMT2ANR1H4AKR1C3MRGPRX4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150258202-A1 ANTHOCYANIDIN COMPLEX FOR THE TREATMENT OF MULTIPLE MYELOMA SAPIOTEC GMBH (DE) 2015-09-17 US disclosed
US-8658686-B2 Pyrazole compounds having therapeutic effect on multiple myeloma NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-25 US disclosed
US-20130253204-A1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-26 US disclosed
EP-2139482-B1 TREATMENT FOR MULTIPLE MYELOMA ARES TRADING SA (CH) 2011-11-16 EP disclosed
WO-2011133654-A1 ADJUSTABLE WALL SUPPORT SYSTEM AND METHOD MODERNFOLD, INC. (US) 2011-10-27 WO disclosed
US-20100069316-A1 TREATMENT FOR MULTIPLE MYELOMA ARES TRADING S.A. 2010-03-18 US disclosed
EP-1635806-B1 METHOD FOR TREATING ALCOHOLIC HEPATITIS UNIV PITTSBURGH (US) 2008-05-28 EP disclosed
US-7238489-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-07-03 US disclosed
US-20060223887-A1 Method for treating acute pancreatitis UNIVERSITY OF PITTSBURGH- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2006-10-05 US disclosed
US-7101692-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-09-05 US disclosed
US-6773706-B2 Identification of sortase gene THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-08-10 US disclosed
EP-1416955-A2 IDENTIFICATION OF SORTASE GENE The Regents of the University of California (US) 2004-05-12 EP disclosed
WO-2003020885-A9 IDENTIFICATION OF SORTASE GENE UNIV CALIFORNIA (US) 2004-04-01 WO disclosed
US-20030153020-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-08-14 US disclosed
US-6565895-B2 Side-effect reduction of anti-cancer therapy GELTEX PHARMACEUTICALS, INC. 2003-05-20 US disclosed
WO-2003020885-A2 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-03-13 WO disclosed
US-20030022178-A1 Identification of sortase gene NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-30 US disclosed
EP-1233780-A1 IDENTIFICATION OF SORTASE GENE The Regents of the University of California (US) 2002-08-28 EP disclosed
US-20020081340-A1 Bismuth compounds for the treatment and prevention of mucositis GELTEX PHARMACEUTICALS, INC. 2002-06-27 US disclosed
WO-2000062804-A2 IDENTIFICATION OF SORTASE GENE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-10-26 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 (4 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-20060223887-A1 Method for treating acute pancreatitis PNLIP, LIPA, AMY2A NR4A2 4116/4885KMT2A 2730/4885MEN1 4476/4885
US-20100069316-A1 TREATMENT FOR MULTIPLE MYELOMA MCL1, BCL6, BCL6B NR4A2 3578/4885KMT2A 931/4885MEN1 64/4885
US-20150258202-A1 ANTHOCYANIDIN COMPLEX FOR THE TREATMENT OF MULTIPLE MYELOMA SDCBP, BCL9, BCL9L NR4A2 2062/4885KMT2A 2720/4885MEN1 706/4885
US-20130253204-A1 PYRAZOLE COMPOUNDS HAVING THERAPEUTIC EFFECT ON MULTIPLE MYELOMA MCL1, BCL6, RTN3 NR4A2 1997/4885KMT2A 1201/4885MEN1 377/4885

“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.