SCHEMBL3778692

SCHEMBL3778692

CC(=O)C(Sc1ccc(Cl)cc1)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
MMP1 P03956 1/20 0.50
TSHR P16473 1/20 0.49
BRD4 O60885 1/20 0.47
S100A4 P26447 1/20 0.45
HPGD P15428 3/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3783064 0.86 CYP2C9 (0.47) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL5847126 0.83 NPSR1 (0.47) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL6420122 0.79 ALDH1A1 (0.44) HSD17B10CYP2C9CYP2C19HPGDMAPT
SCHEMBL5753656 0.79 TPMT (0.37) HSD17B10CYP2C9CYP2C19MMP1TSHR
SCHEMBL9113798 0.77 HSD17B10 (0.50) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL6077411 0.74 LMNA (0.53) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL7398296 0.73 CYP2C9 (0.66) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL6421123 0.73 MAPK1 (0.52) HSD17B10HPGDMAPTLMNANPSR1
SCHEMBL9638444 0.72 CYP2C9 (0.40) HSD17B10CYP2C9CYP2C19TSHRBRD4
SCHEMBL13438254 0.72 TSHR (0.58) HSD17B10CYP2C9CYP2C19MMP2MMP8

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
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer GENZYME CORPORATION 2004-09-02 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
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP disclosed
WO-2002004424-A9 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2002-12-12 WO disclosed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US 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
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 HSD17B10 767/4885CYP2C9 2182/4885CYP2C19 2551/4885
US-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 HSD17B10 1341/4885CYP2C9 2461/4885CYP2C19 2224/4885
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer TNF, TNFRSF1A, CD40 HSD17B10 1113/4885CYP2C9 3002/4885CYP2C19 2328/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 HSD17B10 2679/4885CYP2C9 4397/4885CYP2C19 4306/4885
US-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 HSD17B10 1221/4885CYP2C9 59/4885CYP2C19 61/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 HSD17B10 2679/4885CYP2C9 4397/4885CYP2C19 4306/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 HSD17B10 1221/4885CYP2C9 59/4885CYP2C19 61/4885

“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.