SCHEMBL509484

SCHEMBL509484

CCC(=O)C(Cl)(Cl)C(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
FFAR3 O14843 1/20 0.41
TSHR P16473 3/20 0.33
TP53 P04637 2/20 0.33
SOAT1 P35610 1/20 0.32
CYP2C9 P11712 1/20 0.31
FAAH O00519 1/20 0.31
DRD2 P14416 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL5325238 0.83
SCHEMBL28050060 0.80
SCHEMBL29194757 0.80
SCHEMBL18071020 0.78
SCHEMBL5326548 0.78 TDP1 (0.35) ALDH1A1TDP1FFAR3
SCHEMBL28543740 0.76 ALDH1A1 (0.39) ALDH1A1TDP1FFAR3TSHRSOAT1
SCHEMBL11457278 0.76
SCHEMBL12632949 0.73
SCHEMBL28845415 0.72 TDP1 (0.36) ALDH1A1TDP1FFAR3
SCHEMBL2545646 0.71 ALDH1A1 (0.41) ALDH1A1TDP1FFAR3TSHRSOAT1

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 25 patents — showing the first 20. 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-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 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-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US 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-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 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 (7 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 ALDH1A1 1080/4885TDP1 75/4885FFAR3 2742/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 ALDH1A1 997/4885TDP1 91/4885FFAR3 3275/4885
US-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 ALDH1A1 228/4885TDP1 71/4885FFAR3 2687/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD ALDH1A1 886/4885TDP1 112/4885FFAR3 3641/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 ALDH1A1 385/4885TDP1 68/4885FFAR3 3262/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 ALDH1A1 228/4885TDP1 71/4885FFAR3 2687/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 ALDH1A1 974/4885TDP1 4163/4885FFAR3 390/4885

“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.