SCHEMBL3448593

SCHEMBL3448593

COc1cccc(-c2cc(C(=O)O)[nH]n2)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
PLK1 P53350 1/20 0.76
ALPL P05186 3/20 0.72
CA9 Q16790 2/20 0.72
TP53 P04637 4/20 0.69
CA12 O43570 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.57
GAA P10253 1/20 0.57

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
SCHEMBL11982068 0.87 MAPT (0.76) MAPTSMN1; SMN2PLK1ALPLCA9
SCHEMBL11962149 0.86 PLK1 (1.00) MAPTSMN1; SMN2PLK1ALPLCA9
SCHEMBL14152359 0.84 ALPL (1.00) MAPTSMN1; SMN2ALPLCA9TP53
SCHEMBL14152213 0.83 TP53 (0.61) MAPTSMN1; SMN2PLK1ALPLCA9
SCHEMBL4714286 0.83 MAPT (0.77) MAPTSMN1; SMN2PLK1ALPLTP53
SCHEMBL12172055 0.81 MAPT (0.60) MAPTSMN1; SMN2PLK1ALPLCA9
SCHEMBL31178157 0.81 TP53 (0.71) SMN1; SMN2ALPLCA9TP53CA12
SCHEMBL726574 0.80 TP53 (1.00) SMN1; SMN2ALPLCA9TP53CA12
SCHEMBL14152904 0.78 MAPT (0.77) MAPTSMN1; SMN2ALPLCA9TP53
SCHEMBL28357149 0.78 TP53 (0.55) MAPTSMN1; SMN2PLK1ALPLCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103596567-B Pyrazole derivatives HOFFMAN-LA ROCHE LTD. (CH) 2016-03-16 CN disclosed
EP-2717873-B1 PYRAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-07-15 EP disclosed
US-9073911-B2 Pyrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
EP-2717873-A1 PYRAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
CN-103596567-A Pyrazole derivatives HOFFMANN LA ROCHE 2014-02-19 CN disclosed
US-20120316172-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 US disclosed
WO-2012168260-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
WO-2009143150-A2 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-11-26 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 (2 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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 MAPT 4675/4885SMN1; SMN2 4353/4885PLK1 1726/4885
US-20120316172-A1 PYRAZOLE DERIVATIVES TAAR1, TAAR5, NPY1R MAPT 230/4885SMN1; SMN2 3130/4885PLK1 1821/4885

“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.