SCHEMBL508289

SCHEMBL508289

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.41
MAPT P10636 2/20 0.38
PGR P06401 1/20 0.36
LMNA P02545 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK8 P45983 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31

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 0.89 PTGDR2 (0.46) PTGDR2MAPTLMNAKCNH2
SCHEMBL509492 0.87 ALDH1A1 (0.40) PTGDR2MAPTKCNH2ALDH1A1CARM1
SCHEMBL10250143 0.87 PTGDR2 (0.40) PTGDR2MAPTLMNAKCNH2ALDH1A1
SCHEMBL508794 0.86 PTGDR2 (0.37) PTGDR2MAPTKCNH2
SCHEMBL508772 0.83 MAPT (0.41) PTGDR2MAPTLMNAMAPK8ALDH1A1
SCHEMBL509696 0.82 PGR (0.48) PTGDR2PGRLMNAKCNH2
SCHEMBL509302 0.81 PTGDR2 (0.38) PTGDR2MAPTPGRKCNH2MAPK8
SCHEMBL509197 0.81 KCNH2 (0.37) PTGDR2MAPTPGRKCNH2ALDH1A1
SCHEMBL508793 0.81 PTGDR2 (0.35) PTGDR2MAPTKCNH2
SCHEMBL4099713 0.81 PGR (0.42) PTGDR2PGRLMNAKCNH2ALDH1A1

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 24 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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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-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
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 (3 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-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PTGDR2 3365/4885MAPT 2163/4885PGR 893/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PTGDR2 3632/4885MAPT 1474/4885PGR 891/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PTGDR2 3728/4885MAPT 2150/4885PGR 1045/4885

“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.