SCHEMBL2779237

SCHEMBL2779237

CCCOc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OCCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
CYP3A4 P08684 3/20 0.71
ALDH1A1 P00352 3/20 0.71
TP53 P04637 2/20 0.71
HPGD P15428 2/20 0.71
HIF1A Q16665 2/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 2/20 0.71
CYP2C19 P33261 2/20 0.71
PKM P14618 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
HSD17B10 Q99714 1/20 0.71
ABCC4 O15439 1/20 0.71
HPGDS O60760 1/20 0.71
ABCB11 O95342 1/20 0.71
ALOX12 P18054 1/20 0.71

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
SCHEMBL2779235 1.00 MEN1 (0.71) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL10497421 0.95 MEN1 (0.80) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL13352107 0.95 MEN1 (0.80) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL13352264 0.95 MEN1 (0.80) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL2777954 0.91 TRPA1 (0.84) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL2777952 0.91 TRPA1 (0.84) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL13352010 0.90 MEN1 (0.78) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL9607190 0.90 MEN1 (0.78) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL9607193 0.89 MEN1 (0.77) MEN1KMT2ACYP3A4ALDH1A1TP53
SCHEMBL9607111 0.88 MEN1 (0.76) MEN1KMT2ACYP3A4ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010071865-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS NUON THERAPEUTICS, INC. (US) 2010-06-24 US claimed
EP-2173167-A2 TREATMENT OF NEUROPATHIC PAIN Nuon Therapeutics, Inc. (US) 2010-04-14 EP claimed
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) 2010-02-18 US claimed
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME EBERHARD-KARLS-UNIVERSITAET TUEBINGEN UNIVERSITAETSKLINIKUM 2009-12-17 US claimed
US-20090197957-A1 Methods and compositions for the treatment of pain NUON THERAPEUTICS, INC. 2009-08-06 US claimed
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN NUON THERAPEUTICS INC. 2009-02-12 US claimed
WO-2009008997-A2 TREATMENT OF NEUROPATHIC PAIN NUON THERAPEUTICS, INC. (US) 2009-01-15 WO claimed
EP-1824469-A4 A METHOD OF MODULATING B CELL FUNCTIONING NUON THERAPEUTICS PTY LTD (AU) 2008-07-30 EP claimed
US-20080103204-A1 Method of modulating cellular activity and agents useful for same EBERHARD-KARLS-UNIVERSITAT TUBINGEN (DE) 2008-05-01 US claimed
EP-1845967-A4 A METHOD OF MODULATING T CELL FUNCTIONING UNIV LELAND STANFORD JUNIOR (US) 2008-03-05 EP claimed
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY LIMITED (AU) 2008-01-10 US claimed
EP-1845967-A2 A METHOD OF MODULATING T CELL FUNCTIONING The Board of Trustees of Leland Stanford Junior University (US) 2007-10-24 EP claimed
EP-1824469-A1 A METHOD OF MODULATING B CELL FUNCTIONING Angiogen Pharmaceuticals Pty. Ltd (AU) 2007-08-29 EP claimed
WO-2006076580-A2 A METHOD OF MODULATING T CELL FUNCTIONING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-07-20 WO claimed
WO-2006053390-A1 A METHOD OF MODULATING B CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-05-26 WO claimed
EP-2253313-A1 Tranilast as modulator of T cell functioning for use in the treatment of autoimmune diseases The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2010-11-24 EP disclosed
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST NUON THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
WO-2006076580-A2 A METHOD OF MODULATING T CELL FUNCTIONING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-07-20 WO disclosed
WO-2006053390-A1 A METHOD OF MODULATING B CELL FUNCTIONING ANGIOGEN PHARMACEUTICALS PTY. LTD. (AU) 2006-05-26 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 (8 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-20080103204-A1 Method of modulating cellular activity and agents useful for same NLN, GAP43, CYBB MEN1 3828/4885KMT2A 3579/4885CYP3A4 4276/4885
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST PTGS2, PTGES2, PTGES MEN1 4678/4885KMT2A 1617/4885CYP3A4 891/4885
US-20100160351-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA AND RELATED DISORDERS XDH, SLC10A1, SLC10A6 MEN1 1944/4885KMT2A 3365/4885CYP3A4 1842/4885
US-20080009519-A1 METHOD OF MODULATING T CELL FUNCTIONING IFNG, CD4, IDO1 MEN1 3959/4885KMT2A 1759/4885CYP3A4 1687/4885
US-20090197957-A1 Methods and compositions for the treatment of pain OPRL1, OPRK1, ACHE MEN1 3723/4885KMT2A 1934/4885CYP3A4 1704/4885
US-20090042987-A1 TREATMENT OF NEUROPATHIC PAIN OPRL1, GAP43, AANAT MEN1 3473/4885KMT2A 1821/4885CYP3A4 3576/4885
US-20100041756-A1 METHOD OF MODULATING B CELL FUNCTIONING KYNU, IDO1, IDO2 MEN1 3204/4885KMT2A 1427/4885CYP3A4 804/4885
US-20090312422-A1 METHOD OF MODULATING CELLULAR ACTIVITY AND AGENTS USEFUL FOR SAME NLN, GAP43, CYBB MEN1 3828/4885KMT2A 3579/4885CYP3A4 4276/4885

“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.