SCHEMBL9940115

SCHEMBL9940115

CCCCCc1cc(O)ns1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
CYP3A4 P08684 3/20 0.42
GPR84 Q9NQS5 5/20 0.40
ESR1 P03372 2/20 0.37
ADRA2A P08913 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TACR2 P21452 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SHBG P04278 1/20 0.37
HSPD1 P10809 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR2C P28335 1/20 0.37
HSPE1 P61604 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL21170726 0.86
SCHEMBL20320569 0.72 MAPK1 (0.35) KDM4ELMNAMEN1MAPTHTT
SCHEMBL19800936 0.72 THRB (0.33) PTGS2MEN1ALOX15TSHRKMT2A
SCHEMBL15931912 0.70 HCAR2 (0.50) CYP3A4GPR84KDM4EALDH1A1LMNA
SCHEMBL19135123 0.68 ESR1 (0.34) ESR1
SCHEMBL22175795 0.68 GABRA1 (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL21650122 0.68 CNR1 (0.33) PTGS2CYP3A4GPR84ESR1
SCHEMBL19888596 0.67 CNR1 (0.35) PTGS2GPR84
SCHEMBL7940988 0.65 GPR84 (0.51) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL7413245 0.65 PPARA (0.53) PTGS2CYP3A4GPR84ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10159658-B2 Compositions comprising statins, biguanides and further agents for reducing cardiometabolic risk ELCELYX THERAPEUTICS, INC. (US) 2018-12-25 US disclosed
US-20170165209-A1 Compositions Comprising Statins, Biguanides and Further Agents for Reducing Cardiometabolic Risk ANJI PHARMACEUTICALS INC. 2017-06-15 US disclosed
US-9572784-B2 Compositions comprising statins, biguanides and further agents for reducing cardiometabolic risk ELCELYX THERAPEUTICS, INC. (US) 2017-02-21 US disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-20150196509-A1 Compositions Comprising Statins, Biguanides and Further Agents for Reducing Cardiometabolic Risk ANJI PHARMACEUTICALS INC. 2015-07-16 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
CN-104710381-A Novel 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARM CO LTD 2015-06-17 CN disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2872127-A1 COMPOSITIONS COMPRISING STATINS, BIGUANIDES AND FURTHER AGENTS FOR REDUCING CARDIOMETABOLIC RISK Elcelyx Therapeutics, Inc. (US) 2015-05-20 EP disclosed
US-8557766-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-10-15 US disclosed
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-15 US disclosed
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-8476287-B2 3-hydroxy-5-arylisothiazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
EP-2518060-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-10-31 EP disclosed
CN-102712610-A Novel 3-hydroxy-5-arylisothiazole derivatives MOCHIDA PHARM CO LTD 2012-10-03 CN disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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 (10 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-10159658-B2 Compositions comprising statins, biguanides and further agents for reducing cardiometabolic risk PCSK9, HMGCR, PCSK7 PTGS2 2955/4885CYP3A4 541/4885GPR84 1884/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 PTGS2 4090/4885CYP3A4 2676/4885GPR84 23/4885
US-20130210721-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 PTGS2 3092/4885CYP3A4 2320/4885GPR84 9/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 PTGS2 3092/4885CYP3A4 2320/4885GPR84 9/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 PTGS2 3728/4885CYP3A4 2460/4885GPR84 33/4885
US-20170165209-A1 Compositions Comprising Statins, Biguanides and Further Agents for Reducing Cardiometabolic Risk PCSK9, HMGCR, PCSK7 PTGS2 2955/4885CYP3A4 541/4885GPR84 1884/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 PTGS2 3655/4885CYP3A4 2093/4885GPR84 19/4885
US-20150196509-A1 Compositions Comprising Statins, Biguanides and Further Agents for Reducing Cardiometabolic Risk PCSK9, HMGCR, PCSK7 PTGS2 2955/4885CYP3A4 541/4885GPR84 1884/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 PTGS2 3035/4885CYP3A4 2392/4885GPR84 9/4885
US-20130203739-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 PTGS2 3735/4885CYP3A4 2313/4885GPR84 33/4885

“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.