SCHEMBL697642

SCHEMBL697642

C[CH]OC(=O)OCCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 3/20 0.39
PKM P14618 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.34
PPARG P37231 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL5508668 0.88 PTPN1 (0.35) CA1CA12CA2CA9TDP1
SCHEMBL610682 0.82 CA1 (0.50) CA1CA12CA2CA9TDP1
SCHEMBL17075163 0.82 CA1 (0.50) CA1CA12CA2CA9TDP1
SCHEMBL312854 0.80 CA12 (0.38) CA1CA12CA2CA9TDP1
SCHEMBL304126 0.78 TSHR (0.48) TDP1MAPK1HSD17B10LMNAALDH1A1
SCHEMBL14311948 0.78 CA1 (0.46) CA1CA12CA2CA9TDP1
Bicarbonate SCHEMBL28723134 0.78 CA1 (0.46) CA1CA12CA2CA9TDP1
SCHEMBL305153 0.78 MAPK1 (0.47) CA1CA12CA2CA9TDP1
SCHEMBL5009622 0.78 TDP1 (0.42) CA1CA12CA2CA9TDP1
SCHEMBL8694241 0.77 CA12 (0.36) CA1CA12CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 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-20040014962-A1 1-Methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 EP disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 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 (5 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-20040014962-A1 1-Methylcarbapenem derivatives CD14, CPT1A, ACMSD CA1 2558/4885CA12 2412/4885CA2 2546/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA1 3378/4885CA12 3863/4885CA2 826/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 CA1 2594/4885CA12 3974/4885CA2 1863/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 CA1 3642/4885CA12 3300/4885CA2 1928/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 CA1 4838/4885CA12 4846/4885CA2 3938/4885

“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.