SCHEMBL5262898

SCHEMBL5262898

Cc1c(I)cc(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LDHA P00338 2/20 0.36
LDHB P07195 2/20 0.36
TPMT P51580 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CYP3A4 P08684 1/20 0.35
ACHE P22303 1/20 0.35
TP53 P04637 1/20 0.35
NOTUM Q6P988 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28133536 0.86 TPMT (0.43) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL14989153 0.84 KDM4E (0.50) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL629005 0.83 KDM4E (0.42) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL1568514 0.83 KDM4E (0.45) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL6904405 0.78 KDM4E (0.45) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL27733250 0.78 KDM4E (0.41) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL841683 0.77 CYP3A4 (0.45) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL16652911 0.77 KDM4E (0.44) KDM4EKMT2AMEN1TDP1TPMT
SCHEMBL9518292 0.75 TP53 (0.46) KDM4EKMT2AMEN1TDP1LDHA
SCHEMBL2226009 0.75 KMT2A (0.42) KDM4EKMT2AMEN1TDP1LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018061032-A1 TWELVE-ARMED HEXAPHENYLBENZENE-BASED GIANT SUPRAMOLECULAR SPONGE FOR MOLECULAR INCLUSION AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-04-05 WO disclosed
US-9306169-B2 Electronic device, polymer compound, organic compound, and method of producing polymer compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-05 US disclosed
EP-2693508-A1 ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140024785-A1 ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-23 US disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 WO disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 KDM4E 3972/4885KMT2A 2012/4885MEN1 3960/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 KDM4E 3972/4885KMT2A 2012/4885MEN1 3960/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 KDM4E 3972/4885KMT2A 2012/4885MEN1 3960/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885KMT2A 3023/4885MEN1 604/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS KDM4E 1998/4885KMT2A 3023/4885MEN1 604/4885

“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.