SCHEMBL509302

SCHEMBL509302

CCc1nn(CCO)c(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.38
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
PGR P06401 1/20 0.32
CRHR1 P34998 1/20 0.31
MAPK8 P45983 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2716684 0.89 KCNH2 (0.54) PTGDR2MAPTKCNH2PGR
SCHEMBL5228227 0.88 PTGDR2 (0.40) PTGDR2MAPTKCNH2
SCHEMBL509197 0.87 KCNH2 (0.37) PTGDR2MAPTKCNH2PGRALDH1A1
SCHEMBL5224650 0.87 PGR (0.39) PTGDR2MAPTBRD4BRD2BRD3
SCHEMBL509269 0.86 MAPT (0.36) PTGDR2MAPTKCNH2BRD4BRD2
SCHEMBL509176 0.86 KCNH2 (0.39) PTGDR2MAPTKCNH2BRD4BRD2
SCHEMBL5229047 0.85 KCNH2 (0.36) PTGDR2MAPTKCNH2PGR
SCHEMBL5229824 0.85 MAPT (0.39) PTGDR2MAPTKCNH2
SCHEMBL5227544 0.85 MAPT (0.36) PTGDR2MAPTKCNH2
SCHEMBL5229393 0.84 OPRL1 (0.34) PGR

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-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
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-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 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-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
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 PTGDR2 3222/4885MAPT 2220/4885KCNH2 3441/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PTGDR2 3365/4885MAPT 2163/4885KCNH2 3304/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PTGDR2 3632/4885MAPT 1474/4885KCNH2 3548/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PTGDR2 3728/4885MAPT 2150/4885KCNH2 3503/4885

“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.