SCHEMBL508413

SCHEMBL508413

CCC(=O)C(Oc1cc(Cl)cc(Cl)c1)C(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MAPT P10636 3/20 0.34
OGG1 O15527 1/20 0.34
TPMT P51580 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL508483 0.90 L3MBTL1 (0.36) CNR2CARM1PRMT6MAPTOGG1
SCHEMBL508371 0.79 TPMT (0.37) CARM1PRMT6MAPTOGG1TPMT
SCHEMBL508484 0.78 PPARA (0.36) TPMTL3MBTL1SMN1; SMN2MRGPRX4
SCHEMBL14841645 0.74 RAB9A (0.36) MAPTSMN1; SMN2ALDH1A1
SCHEMBL10631697 0.73 SMN1; SMN2 (0.42) CARM1PRMT6MAPTSMN1; SMN2FFAR4
SCHEMBL3942614 0.73 SMN1; SMN2 (0.58) SMN1; SMN2
SCHEMBL27561768 0.73 PPARA (0.43) CNR2L3MBTL1
SCHEMBL11618061 0.71 FFAR4 (0.34) CNR2CARM1PRMT6MAPTOGG1
SCHEMBL5914763 0.71 FFAR1 (0.36) TPMTSMN1; SMN2MRGPRX4
SCHEMBL1360441 0.71 SMN1; SMN2 (0.41) CARM1PRMT6MAPTSMN1; SMN2

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 12 patents. 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-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-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US 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
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 CNR2 4368/4885CARM1 743/4885PRMT6 273/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 CNR2 4327/4885CARM1 770/4885PRMT6 408/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD CNR2 4479/4885CARM1 1581/4885PRMT6 992/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CNR2 4453/4885CARM1 1339/4885PRMT6 1157/4885

“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.