SCHEMBL5752005

SCHEMBL5752005

CCc1nn(CCO)c(CO)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
CREBBP Q92793 1/20 0.32
HSP90B1 P14625 1/20 0.32
DHFR P00374 1/20 0.32
TYMS P04818 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
CRHR1 P34998 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
SCHEMBL5750378 0.94 PTGDR2 (0.34) BRD4BRD2BRD3CREBBPHSP90B1
SCHEMBL5753821 0.90 HSP90B1 (0.32) BRD4BRD2BRD3CREBBPHSP90B1
SCHEMBL5751729 0.82 HSP90B1 (0.32) HSP90B1
SCHEMBL5752055 0.81 SLC22A12 (0.35) BRD4BRD2BRD3CREBBPDHFR
SCHEMBL5754079 0.78 L3MBTL1 (0.36) BRD4BRD2BRD3CREBBP
SCHEMBL5752981 0.77 MARS1 (0.34) BRD4BRD2BRD3CREBBPHSP90B1
SCHEMBL5750482 0.76 TYMS (0.34) HSP90B1DHFRTYMS
SCHEMBL5752390 0.75 PGR (0.33) HSP90B1
SCHEMBL5802472 0.73
SCHEMBL5751439 0.73 L3MBTL1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US claimed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP claimed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US claimed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US claimed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP claimed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO claimed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US claimed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 WO claimed
US-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US disclosed
EP-1299361-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2003-04-09 EP disclosed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002004424-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2002-01-17 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 (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-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 BRD4 452/4885BRD2 1350/4885BRD3 577/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 BRD4 452/4885BRD2 1350/4885BRD3 577/4885

“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.