SCHEMBL509870

SCHEMBL509870

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
FFAR3 O14843 1/20 0.39
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
SOAT1 P35610 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
SCHEMBL901650 0.85
SCHEMBL3801577 0.85
SCHEMBL25286860 0.81 ALDH1A1 (0.31) CYP2C9ALDH1A1TSHRSOAT1
SCHEMBL2703448 0.80
SCHEMBL1597955 0.79 SOAT1 (0.44) CYP2C9ALDH1A1LMNASOAT1
SCHEMBL1398170 0.79 CA1 (0.38) CYP2C9ALDH1A1TSHRSOAT1
SCHEMBL5492354 0.78
SCHEMBL13520926 0.78
SCHEMBL10789620 0.75
SCHEMBL10031543 0.75

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013057593-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-25 WO claimed
WO-2013050884-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-11 WO claimed
CN-113292489-B Preparation method of dichlorodialkyl nicotinonitrile 泓博智源(开原)药业有限公司 2022-08-30 CN disclosed
CN-113292489-A Preparation method of dichlorodialkyl nicotinonitrile 泓博智源(开原)药业有限公司 2021-08-24 CN disclosed
WO-2013057593-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-25 WO disclosed
WO-2013057593-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-25 WO disclosed
WO-2013050873-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-11 WO disclosed
WO-2013050873-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-11 WO disclosed
WO-2013050884-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-11 WO disclosed
WO-2013050884-A1 PROCESS FOR THE PREPARATION OF LERSIVIRINE PHIVCO UK LIMITED (GB) 2013-04-11 WO disclosed
US-8389736-B2 Compounds having activity in correcting mutant-CFTR processing and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-05 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
WO-2003057674-A1 4-SULFIDE / SULFOXIDE / SULFONYL-1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-17 WO 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 (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 CYP2C9 59/4885ALDH1A1 228/4885TDP1 71/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 CYP2C9 248/4885ALDH1A1 385/4885TDP1 68/4885

“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.