SCHEMBL497713

SCHEMBL497713

CCCC[CH]C(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.40
F7 P08709 2/20 0.38
F3 P13726 2/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
EP300 Q09472 1/20 0.34
TERT O14746 3/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C19 P33261 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP4 P15090 2/20 0.33
FAAH O00519 2/20 0.33
PTPN1 P18031 2/20 0.33
PPARG P37231 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 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
SCHEMBL1415982 0.93 ALDH1A1 (0.43) ALDH1A1TSHRF7F3EP300
SCHEMBL1985796 0.91 EP300 (0.45) TSHRF7F3EP300TERT
SCHEMBL4920867 0.91 EP300 (0.45) TSHRF7F3EP300TERT
SCHEMBL497803 0.85
SCHEMBL498179 0.79 CA12 (0.42) ALDH1A1TSHRF7F3CES2
SCHEMBL23139471 0.77 CHRNB2 (0.47) ALDH1A1F7F3CYP1A2MAPT
SCHEMBL29498992 0.77 CHRNB2 (0.47) ALDH1A1F7F3CYP1A2MAPT
SCHEMBL9504647 0.77 TSHR (0.33) ALDH1A1TSHRF7F3
SCHEMBL7777881 0.74 EPHX2 (0.42) TSHRF7F3EP300TERT
SCHEMBL7773440 0.74 EPHX2 (0.42) TSHRF7F3EP300TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US claimed
US-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC 2003-11-06 US claimed
WO-2003057688-A2 OXO OR OXY-PYRIDINE COMPOUNDS AS 5-HT4 RECEPTOR MODULATORS PFIZER JAPAN INC. (JP) 2003-07-17 WO claimed
EP-1325921-A2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators Pfizer Inc. (US) 2003-07-09 EP claimed
EP-3406142-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Celgene International II Sàrl (CH) 2018-11-28 EP disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
EP-2498610-A1 SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS Receptos, Inc. (US) 2012-09-19 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP disclosed
US-5371098-A Use of oxazole compounds to treat osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US disclosed
EP-0376197-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-10-12 EP disclosed
US-5239080-A Oxazole compounds and their use as antidiabetic and bone-reduction inhibitory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-24 US disclosed
US-5158943-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-27 US disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 EP disclosed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 US disclosed
EP-0440183-A1 Oxazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-08-07 EP disclosed
EP-0382199-A1 Oxazole compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-08-16 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 (3 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-20030207875-A1 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators HRH4, HRH2, HTR4 ALDH1A1 2035/4885TSHR 148/4885F7 1972/4885
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT ALDH1A1 818/4885TSHR 3650/4885F7 36/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI ALDH1A1 517/4885TSHR 1622/4885F7 91/4885

“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.