SCHEMBL9687102

SCHEMBL9687102

CC(=O)OCc1ccc(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.61
POLB P06746 3/20 0.61
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 2/20 0.57
ALOX15 P16050 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.47
ADAMTS4 O75173 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL9686943 0.93 POLB (0.55) L3MBTL1POLBHTTSMN1; SMN2NPSR1
SCHEMBL9684769 0.87 L3MBTL1 (0.50) L3MBTL1POLBHTTSMN1; SMN2NPSR1
SCHEMBL2876824 0.86 L3MBTL1 (0.60) L3MBTL1POLBHTTSMN1; SMN2NPSR1
SCHEMBL2876829 0.85 L3MBTL1 (0.58) L3MBTL1POLBHTTSMN1; SMN2NPSR1
SCHEMBL31568278 0.83 L3MBTL1 (0.54) L3MBTL1POLBHTTSMN1; SMN2NPSR1
SCHEMBL11888397 0.83 GAA (0.64) L3MBTL1HTTSMN1; SMN2MAPTGAA
SCHEMBL13034123 0.83 MAOB (0.59) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL13811589 0.83 L3MBTL1 (0.54) L3MBTL1POLBHTTSMN1; SMN2NPSR1
SCHEMBL336642 0.81 ALDH1A1 (0.51) L3MBTL1POLBHTTSMN1; SMN2ALDH1A1
SCHEMBL6236731 0.80 MAOB (0.57) L3MBTL1POLBHTTSMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
CN-101056640-A Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INT (DE) 2007-10-17 CN disclosed
CN-101035540-A Pharmaceutical combinations containing benzoxazine for treating respiratory diseases BOEHRINGER INGELHEIM INT (DE) 2007-09-12 CN disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
CN-1946406-A Benzoxazines for treating respiratory diseases BOEHRINGER INGELHEIM INT (DE) 2007-04-11 CN disclosed
CN-1713914-A Novel drug for treating chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-28 CN disclosed
US-5078838-A By electrochemical anodic oxidation of benzyl derivatives in the presence of an aliphatic alcohol BASF AKTIENGESELLSCHAFT (DE) 1992-01-07 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 L3MBTL1 1548/4885POLB 3099/4885HTT 1110/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 L3MBTL1 1548/4885POLB 3099/4885HTT 1110/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 L3MBTL1 1548/4885POLB 3099/4885HTT 1110/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 L3MBTL1 1548/4885POLB 3099/4885HTT 1110/4885

“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.