SCHEMBL1752018

SCHEMBL1752018

CCC(NC=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.40
ADH1C P00326 3/20 0.40
ADH1A P07327 3/20 0.40
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL7529599 0.78 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9544388 0.77 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7211769 0.76
SCHEMBL7523004 0.70
SCHEMBL8675118 0.68 SMPD1 (0.36) ADH1BADH1CADH1A
SCHEMBL1752017 0.68
SCHEMBL25180 0.67
SCHEMBL13074302 0.67
SCHEMBL7522560 0.67 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL18124154 0.66 TSHR (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968584-B2 Substituted arylpyrazoles PFIZER INC. (US) 2011-06-28 US disclosed
US-7645786-B2 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2010-01-12 US disclosed
EP-2102167-A2 SUBSTITUTED ARYLPYRAZOLES Pfizer Limited (GB) 2009-09-23 EP disclosed
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER INC. (US) 2009-07-23 US disclosed
US-7538134-B2 Substituted arylpyrazoles PFIZER INC. (US) 2009-05-26 US disclosed
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-07-24 US disclosed
US-20080146643-A1 COMBINATION PFIZER LIMITED (GB) 2008-06-19 US disclosed
WO-2008072053-A2 SUBSTITUTED ARYLPYRAZOLES PFIZER LIMITED (GB) 2008-06-19 WO disclosed
WO-2008072077-A2 COMBINATION OF 1-ARYL-4-CYCLOPROPYLPYRAZOLES WITH ANTHELMINTIC AGENT FOR PARASITIC INFESTATION PFIZER LIMITED (GB) 2008-06-19 WO disclosed
EP-1893581-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES Pfizer Limited (GB) 2008-03-05 EP disclosed
US-20070149464-A1 COMBINATION PFIZER INC. (US) 2007-06-28 US disclosed
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days PFIZER INC. (US) 2007-06-28 US disclosed
US-20060287365-A1 Substituted arylpyrazoles ZOETIS LLC 2006-12-21 US disclosed
WO-2006134468-A1 SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES PFIZER LIMITED (GB) 2006-12-21 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 (6 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-20080146643-A1 COMBINATION PIGO, EPX, PIGS ADH1B 1286/4885ADH1C 3877/4885ADH1A 2828/4885
US-20080176865-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 ADH1B 2686/4885ADH1C 2753/4885ADH1A 2183/4885
US-20060287365-A1 Substituted arylpyrazoles CYP3A4, CYP3A43, CYP4B1 ADH1B 2686/4885ADH1C 2753/4885ADH1A 2183/4885
US-20090186924-A1 SUBSTITUTED ARYLPYRAZOLES CYP3A4, CYP3A43, CYP4B1 ADH1B 2686/4885ADH1C 2753/4885ADH1A 2183/4885
US-20070149550-A1 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days CYP3A43, CYP3A4, CYP2F1 ADH1B 4225/4885ADH1C 3229/4885ADH1A 1593/4885
US-20070149464-A1 COMBINATION PIGO, EPX, PIGS ADH1B 1286/4885ADH1C 3877/4885ADH1A 2828/4885

“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.