SCHEMBL1898535

SCHEMBL1898535

CCOC(=O)Cc1ccccc1C(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 1/20 0.51
CDC25B P30305 2/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 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
SCHEMBL2597713 0.91 TSHR (0.56) TSHRALDH1A1HSD17B10L3MBTL1PKM
SCHEMBL7422565 0.89 TSHR (0.51) TSHRALDH1A1HSD17B10L3MBTL1PKM
SCHEMBL2644268 0.88 TSHR (0.56) TSHRALDH1A1HSD17B10L3MBTL1PKM
SCHEMBL1567252 0.86 TSHR (0.52) TSHRALDH1A1HSD17B10L3MBTL1PKM
SCHEMBL13032652 0.86 TSHR (0.67) TSHRALDH1A1HSD17B10L3MBTL1CDC25B
SCHEMBL28600642 0.86 TSHR (0.52) TSHRALDH1A1HSD17B10L3MBTL1PKM
SCHEMBL6959476 0.86 TSHR (0.67) TSHRALDH1A1HSD17B10L3MBTL1CDC25B
SCHEMBL1492385 0.86 TSHR (0.67) TSHRALDH1A1HSD17B10L3MBTL1CDC25B
SCHEMBL10724543 0.86 L3MBTL1 (0.53) TSHRALDH1A1HSD17B10L3MBTL1PKM
SCHEMBL578128 0.85 TSHR (0.77) TSHRALDH1A1HSD17B10L3MBTL1CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796313-B2 Substituted dihydroisoindolones as allosteric modulators of glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2014-08-05 US disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-20130072519-A1 2-PHENYL BENZOYLAMIDES CONN EDWARD LEE (US) 2013-03-21 US disclosed
US-7935832-B2 Pyrrole and isoindole carboxamide derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2011-05-03 US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20100210705-A1 Pyrrole and Isoindole Carboxamide Derivatives as P2X7 Modulators GLAXO GROUP LIMITED (GB) 2010-08-19 US disclosed
EP-2142502-A1 PYRROLE AND ISOINDOLE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-01-13 EP disclosed
WO-2008116814-A1 PYRROLE AND ISOINDOLE CARBOXAMIDE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
EP-1960385-A1 SUBSTITUTED DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP disclosed
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
EP-0834497-B1 PROCESS FOR PRODUCING 3-ISOCHROMANONES SAGAMI CHEM RES (JP) 2001-10-24 EP disclosed
EP-0549352-B1 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO KK (JP) 2000-03-01 EP disclosed
US-5886211-A Process for producing 2-(halomethyl)phenylacetic acid esters SAGAMI CHEMICAL RESEARCH CENTER (JP) 1999-03-23 US disclosed
EP-0834497-A1 PROCESS FOR PRODUCING 2-(HALOMETHYL)PHENYLACETIC ACID ESTERS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-08 EP disclosed
US-5607955-A TREATMENT OF HYPERTENSION, CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-03-04 US disclosed
US-5478840-A Imidazo(4,5-b)pyridine derivatives used as antagonism to angiotensin ii receptors KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5378701-A Angiotensin II inhibitors; hypotensive agents; congestive heart and kidney failure; glaucoma KYOWA HAKKO KOGYO (JP) 1995-01-03 US disclosed
EP-0549352-A2 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-30 EP disclosed
US-4273773-A IN COMBINATION WITH A DIURETIC AMERICAN HOME PRODUCTS CORPORATION (US) 1981-06-16 US 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 (4 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-20130072519-A1 2-PHENYL BENZOYLAMIDES APOB, MTTP, HADHB TSHR 3186/4885ALDH1A1 885/4885HSD17B10 191/4885
US-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 TSHR 3340/4885ALDH1A1 1552/4885HSD17B10 717/4885
US-20100210705-A1 Pyrrole and Isoindole Carboxamide Derivatives as P2X7 Modulators P2RX3, P2RX6, P2RY6 TSHR 1052/4885ALDH1A1 2500/4885HSD17B10 4389/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TSHR 1483/4885ALDH1A1 310/4885HSD17B10 1113/4885

“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.