SCHEMBL508703

SCHEMBL508703

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
KCNH2 Q12809 1/20 0.34
VEGFA P15692 2/20 0.32
TBXA2R P21731 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
KAT6A Q92794 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL508685 0.91 GAA (0.35) MGLLGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL508962 0.80 MGLL (0.43) MGLLKCNH2VEGFA
SCHEMBL6684044 0.76 LMNA (0.49) MGLLKCNH2VEGFAGAASMN1; SMN2
SCHEMBL12127900 0.75 MGLL (0.42) MGLLKCNH2VEGFAALDH1A1KAT6A
SCHEMBL508238 0.74 KCNH2 (0.39) KCNH2VEGFAGAASMN1; SMN2ALDH1A1
SCHEMBL27585148 0.73 MGLL (0.37) MGLLKCNH2VEGFA
SCHEMBL12134589 0.71 KCNH2 (0.40) MGLLKCNH2VEGFASMN1; SMN2ALDH1A1
SCHEMBL5156175 0.70 MGLL (0.34) MGLLALDH1A1MAPT
SCHEMBL15633827 0.69 GPR35 (0.42) KCNH2VEGFAALDH1A1KDM4ELMNA
SCHEMBL26090155 0.68 MGLL (0.45) MGLLKCNH2VEGFAMAPT

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 23 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
CN-100408564-C Pyrazole derivatives for treating HIV PFIZER LTD (US) 2008-08-06 CN disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP 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
CN-1514828-A Pyrazole derivatives for treating HIV 2004-07-21 CN 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 (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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 MGLL 4393/4885KCNH2 3441/4885VEGFA 4077/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MGLL 4333/4885KCNH2 3304/4885VEGFA 3932/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MGLL 4304/4885KCNH2 3548/4885VEGFA 3716/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MGLL 4518/4885KCNH2 3503/4885VEGFA 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.