SCHEMBL1492385

SCHEMBL1492385

CCOC(=O)c1ccccc1CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 4/20 0.57
BCAT2 O15382 1/20 0.50
KMT2A Q03164 1/20 0.49
CDC25B P30305 1/20 0.49
AKR1B1 P15121 1/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK10 P53779 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 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
SCHEMBL13032652 0.86 TSHR (0.67) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL1898535 0.86 TSHR (0.67) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL6959476 0.86 TSHR (0.67) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL578128 0.85 TSHR (0.77) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL1492404 0.85 TSHR (0.65) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL6965591 0.84 TSHR (0.69) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL9261572 0.83 TSHR (0.62) TSHRALDH1A1HSD17B10KMT2ACDC25B
Diethyl Phthalate SCHEMBL19252611 0.83 TSHR (0.95) TSHRALDH1A1HSD17B10KMT2ACDC25B
Diethyl Phthalate SCHEMBL28775845 0.83 TSHR (0.95) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL27587890 0.83 BCAT2 (0.50) TSHRALDH1A1HSD17B10BCAT2KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475660-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GlaxoSmithKline LLC (US) 2012-07-18 EP disclosed
US-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2012-07-05 US disclosed
WO-2011029855-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK GLAXOSMITHKLINE LLC (US) 2011-03-17 WO disclosed
EP-0554313-B1 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1995-08-09 EP disclosed
EP-0554313-A4 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1994-05-18 EP disclosed
EP-0554313-A1 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-08-11 EP disclosed
US-5210208-A DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-05-11 US disclosed
WO-1992005145-A1 DISUBSTITUTED ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-04-02 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 (1 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-20120172333-A1 PYRROLO-PYRIDINE DERIVATIVES AS ACTIVATORS OF AMPK PRKAB1, PRKAG1, PRKAB2 TSHR 2257/4885ALDH1A1 1202/4885HSD17B10 1997/4885

“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.