SCHEMBL508238

SCHEMBL508238

CC(=O)C(Oc1cc(Cl)cc(C#N)c1)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
EPAS1 Q99814 2/20 0.35
VEGFA P15692 1/20 0.35
ARNT P27540 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR35 Q9HC97 2/20 0.34
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTRA1 Q92743 1/20 0.33
CYP3A4 P08684 1/20 0.32
RIPK1 Q13546 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL15633827 0.88 GPR35 (0.42) KCNH2EPAS1VEGFAARNTGPR35
SCHEMBL508371 0.83 TPMT (0.37) MAPTFFAR4
SCHEMBL15633184 0.82 GPR35 (0.45) KCNH2EPAS1VEGFAARNTGPR35
SCHEMBL12127371 0.78 KCNH2 (0.43) KCNH2EPAS1VEGFAARNTGAA
SCHEMBL508685 0.78 GAA (0.35) GAASMN1; SMN2GPR35ALDH1A1MAPT
SCHEMBL17264663 0.75 KCNH2 (0.44) KCNH2GPR35ALDH1A1MAPTCYP3A4
SCHEMBL28368129 0.75 KCNH2 (0.40) KCNH2EPAS1VEGFAARNTMAPT
SCHEMBL4104288 0.75 MAPT (0.51) GAASMN1; SMN2ALDH1A1MAPT
SCHEMBL29505116 0.75 KCNH2 (0.40) KCNH2EPAS1VEGFAARNTMAPT
SCHEMBL5156175 0.75 MGLL (0.34) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
EP-1556381-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 US disclosed
WO-2004029051-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LIMITED (GB) 2004-04-08 WO disclosed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 KCNH2 3441/4885EPAS1 1750/4885VEGFA 4077/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885EPAS1 1863/4885VEGFA 3932/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 KCNH2 2921/4885EPAS1 2583/4885VEGFA 3675/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885EPAS1 1855/4885VEGFA 3716/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885EPAS1 1563/4885VEGFA 3701/4885

“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.