SCHEMBL509217

SCHEMBL509217

CCc1nn(C(C)C(=O)O)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.38
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.34
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RARG P13631 1/20 0.31
RORC P51449 1/20 0.31
FABP4 P15090 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.30
RECQL P46063 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
SCHEMBL508683 0.78 PTGDR2 (0.46) PTGDR2MAPTKCNH2
SCHEMBL508730 0.76 PTGDR2 (0.37) PTGDR2MAPTKCNH2
SCHEMBL5224587 0.75 KCNH2 (0.40) PTGDR2MAPTKCNH2KDM4ERARG
SCHEMBL508289 0.75 PTGDR2 (0.41) PTGDR2MAPTKCNH2CARM1PRMT6
SCHEMBL10250143 0.74 PTGDR2 (0.40) PTGDR2MAPTKCNH2KDM4EALDH1A1
SCHEMBL5228559 0.73 KEAP1 (0.37) PTGDR2MAPTCARM1PRMT6PPARG
SCHEMBL509302 0.73 PTGDR2 (0.38) PTGDR2MAPTKCNH2ALDH1A1
SCHEMBL509492 0.72 ALDH1A1 (0.40) PTGDR2MAPTKCNH2CARM1PRMT6
SCHEMBL5226712 0.71 KCNH2 (0.38) PTGDR2MAPTKCNH2
SCHEMBL508772 0.70 MAPT (0.41) PTGDR2MAPTKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
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
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP 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 (2 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 PTGDR2 3222/4885MAPT 2220/4885KCNH2 3441/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PTGDR2 3632/4885MAPT 1474/4885KCNH2 3548/4885

“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.