SCHEMBL295369

SCHEMBL295369

[CH2]c1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.53
BCAT2 O15382 1/20 0.52
LTB4R2 Q9NPC1 8/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MYC P01106 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CHRNB2 P17787 1/20 0.46

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
SCHEMBL18759613 0.89 HNF4A (0.63) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
SCHEMBL30292805 0.89 HNF4A (0.63) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
SCHEMBL11554621 0.87 HNF4A (0.61) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
SCHEMBL32677772 0.85 HNF4A (0.64) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
SCHEMBL505412 0.85 HNF4A (0.64) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
SCHEMBL32677769 0.85 HNF4A (0.64) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
Benzene SCHEMBL1403559 0.85 HNF4A (0.69) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
Benzene SCHEMBL28480917 0.85 HNF4A (0.69) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
SCHEMBL133057 0.85 HNF4A (0.69) HNF4ABCAT2LTB4R2ALDH1A1ALOX15
SCHEMBL26624744 0.85 HNF4A (0.69) HNF4ABCAT2LTB4R2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732669-A Dicaboxylic acid ligand silver complex and preparation method and application thereof 曲阜师范大学 2016-07-06 CN claimed
US-7101855-B2 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-09-05 US claimed
EP-1144435-B1 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-04-12 EP claimed
EP-1612215-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-01-04 EP claimed
US-6949570-B2 Carboxyalkyl substituted sulfonamidomethyl amides or ureas used for treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, and diabetes ELAN PHARMACEUTICALS, INC. (US) 2005-09-27 US claimed
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-02-06 US claimed
US-20030027850-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ASHWELL SUSAN (US) 2003-02-06 US claimed
US-6436904-B1 TREATMENT OF INFLAMMATORY DISEASES IN MAMMALS ELAN PHARMACEUTICALS, INC. 2002-08-20 US claimed
US-6407066-B1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-06-18 US claimed
EP-1150997-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-11-07 EP claimed
CN-1265668-A Substituted phenylalanine-type compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
WO-2000043415-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 WO claimed
EP-0994895-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
CN-105732669-A Dicaboxylic acid ligand silver complex and preparation method and application thereof 曲阜师范大学 2016-07-06 CN disclosed
EP-1885714-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-1-((2'-SUBSTITUTED-BIPHENYL-4-YL)METHYL)-IMIDAZOLE, DIHYDROIMIDAZOLE OR BENZIMIDAZOLE DERIVATIVES LEK PHARMACEUTICALS (SI) 2014-01-15 EP disclosed
EP-1501897-B1 METHOD FOR THE PRODUCTION OF PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIIMIDES AND PERYLEN-3,4:9,10-TETRACARBOXYLIC ACID DIANHYDRIDE AND NAPHTALENE-1,8-DICARBOXYLIMIDES BASF SE (DE) 2012-03-14 EP disclosed
US-5250558-A Substituted triazolinones, triazolinethiones, and triazolinimines as neurotensin antagonists used to treat psychosis MERCK & CO., INC. (US) 1993-10-05 US disclosed
EP-0412594-A2 Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO. INC. (US) 1991-02-13 EP disclosed
EP-0409332-A2 Substituted triazoles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-23 EP 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 (2 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-20030027850-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM HNF4A 712/4885BCAT2 817/4885LTB4R2 16/4885
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 HNF4A 726/4885BCAT2 144/4885LTB4R2 64/4885

“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.