SCHEMBL508484

SCHEMBL508484

CCCC(=O)C(Oc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.36
PPARG P37231 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LDHA P00338 1/20 0.34
GRN P28799 3/20 0.33
SORT1 Q99523 3/20 0.33
ADRB2 P07550 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TPMT P51580 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
SCHEMBL508413 0.78 CNR2 (0.35) SMN1; SMN2MRGPRX4L3MBTL1TPMT
SCHEMBL6754626 0.75 LDHA (0.67) PPARAPPARGSMN1; SMN2LDHA
SCHEMBL3942614 0.73 SMN1; SMN2 (0.58) PPARAPPARGSMN1; SMN2
SCHEMBL508483 0.73 L3MBTL1 (0.36) SMN1; SMN2L3MBTL1
SCHEMBL5914763 0.72 FFAR1 (0.36) PPARAPPARGSMN1; SMN2GRNSORT1
SCHEMBL508371 0.72 TPMT (0.37) LDHAMRGPRX4L3MBTL1TPMT
SCHEMBL9780822 0.71 TDP1 (0.55) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL1360515 0.71 TDP1 (0.55) PPARAPPARGCYP1A2CYP2C9CYP2C19
SCHEMBL28601359 0.69 BCL9 (0.47) L3MBTL1
SCHEMBL5914738 0.68 TPMT (0.38) PPARAPPARGGRNSORT1MRGPRX4

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 10 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
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 PPARA 2855/4885PPARG 2894/4885SMN1; SMN2 3225/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PPARA 2822/4885PPARG 2743/4885SMN1; SMN2 3577/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PPARA 1932/4885PPARG 1606/4885SMN1; SMN2 3432/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PPARA 2537/4885PPARG 2211/4885SMN1; SMN2 2943/4885

“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.