SCHEMBL3179541

SCHEMBL3179541

CC(=O)c1ccc(C(=O)O)cn1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.73
P4HA1 P13674 2/20 0.73
MIF P14174 1/20 0.73
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53

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
SCHEMBL5365695 0.87 P4HTM (0.54) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL30269694 0.87 P4HTM (0.54) P4HTMP4HA1MIFMAPK1KDM4E
Pyridine-2,5-Dicarboxylic Acid SCHEMBL70231 0.85 P4HTM (1.00) P4HTMP4HA1MIFMAPK1KDM4E
Pyridine-2,5-Dicarboxylic Acid SCHEMBL29363410 0.85 P4HTM (1.00) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL28739280 0.84 P4HTM (0.68) P4HTMP4HA1MIFMAPK1KDM4E
SCHEMBL1585449 0.83 P4HTM (0.73) P4HTMP4HA1MIFMAPK1KDM4E
Pyridine-2,5-Dicarboxylic Acid SCHEMBL336436 0.83 P4HTM (0.95) P4HTMP4HA1MIFMAPK1KDM4E
Pyridine-2,5-Dicarboxylic Acid SCHEMBL11489139 0.83 P4HTM (0.95) P4HTMP4HA1MIFMAPK1KDM4E
Pyridine-2,5-Dicarboxylic Acid SCHEMBL21173963 0.83 P4HTM (0.95) P4HTMP4HA1MIFMAPK1KDM4E
Pyridine-2,5-Dicarboxylic Acid SCHEMBL2275972 0.83 P4HTM (0.95) P4HTMP4HA1MIFMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-10 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES BUSHELL SIMON (US) 2014-10-23 US disclosed
EP-2044101-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USES AS ANTIBACTERIAL AGENTS NOVARTIS AG (CH) 2013-10-09 EP disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-24 US disclosed
US-20060106072-A1 Compounds having selective activity for Retinoid X Receptors, and means for modulation of processes mediated by Retinoid X Receptors EISAI INC. 2006-05-18 US disclosed
US-6942980-B1 Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities ALLERGAN, INC. (US) 2005-09-13 US disclosed
EP-1535919-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Allergan, Inc. (US) 2005-06-01 EP disclosed
US-6855832-B2 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. (US) 2005-02-15 US disclosed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 WO disclosed
EP-0678086-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
EP-0678087-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
EP-0637297-A4 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS. LIGAND PHARM INC (US) 1995-09-20 EP disclosed
WO-1995004036-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1995-02-09 WO disclosed
EP-0637297-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
WO-1994015902-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1993021146-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 1993-10-28 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-20060106072-A1 Compounds having selective activity for Retinoid X Receptors, and means for modulation of processes mediated by Retinoid X Receptors RXRB, RXRA, RXRG P4HTM 1383/4885P4HA1 2620/4885MIF 4404/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 P4HTM 1576/4885P4HA1 1571/4885MIF 2204/4885
US-20090318494-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 P4HTM 1413/4885P4HA1 428/4885MIF 3262/4885
US-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same C5, PRXL2A, NOX3 P4HTM 1873/4885P4HA1 1130/4885MIF 4764/4885
US-20140315790-A1 AMINOTHIAZOLES AND THEIR USES ABAT, AADAT, GOT2 P4HTM 1257/4885P4HA1 2234/4885MIF 3216/4885

“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.