SCHEMBL4371209

SCHEMBL4371209

COCc1ccc(CBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
IDO1 P14902 5/20 0.38
AGXT P21549 4/20 0.38
PTGS2 P35354 1/20 0.37
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ACACB O00763 1/20 0.34
ERN1 O75460 1/20 0.34
APP P05067 3/20 0.33
MAOB P27338 2/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL134443 0.86 IDO1 (0.46) TSHRIDO1AGXTPTGS2LMNA
SCHEMBL9806222 0.81 TSHR (0.37) TRPA1ALDH1A1TSHRIDO1AGXT
SCHEMBL1918984 0.80 TDP1 (0.48) IDO1AGXTPTGS2LMNATP53
SCHEMBL3149674 0.80 PTPN1 (0.46) PTGS2LMNATP53CA2
SCHEMBL1995347 0.79 IDO1 (0.58) ALDH1A1TSHRIDO1LMNAAPP
SCHEMBL3143263 0.78 PTPN1 (0.44) LMNATP53CA2
SCHEMBL8020885 0.78 ESR1 (0.48) ALDH1A1TSHRIDO1AGXTPTGS2
SCHEMBL9679767 0.78 TSHR (0.52) TSHRIDO1AGXTPTGS2LMNA
SCHEMBL198803 0.78 ERN1 (0.47) IDO1AGXTPTGS2ERN1MAOB
SCHEMBL11310162 0.78 ESR1 (0.48) ALDH1A1TSHRIDO1AGXTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-02-27 US disclosed
WO-2014031936-A2 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE JONES PHILIP (US) 2014-02-27 WO disclosed
US-8629102-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-01-14 US 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-8383642-B2 Spiropiperidine compounds ELI LILLY AND COMPANY (US) 2013-02-26 US disclosed
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-11-01 US disclosed
US-20110092531-A1 Novel Spiropiperidine Compounds ELI LILLY AND COMPANY (US) 2011-04-21 US disclosed
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625933-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
WO-1992014706-A1 CYCLOPENTANE-DERIVED GLUTARAMIDE ANTIHYPERTENSIVE AGENTS PFIZER LIMITED (GB) 1992-09-03 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-20110092531-A1 Novel Spiropiperidine Compounds REN, SLC5A1, SLC5A2 TRPA1 465/4885ALDH1A1 564/4885TSHR 1199/4885
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 TRPA1 574/4885ALDH1A1 3399/4885TSHR 394/4885
US-20140057871-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 TRPA1 665/4885ALDH1A1 3072/4885TSHR 387/4885
US-20130217690-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVES GPR119, GPR27, GPR65 TRPA1 118/4885ALDH1A1 2526/4885TSHR 516/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 TRPA1 722/4885ALDH1A1 3218/4885TSHR 421/4885
US-20080119531-A1 PPAR gamma agonists or partial agonists; type II diabetes, including hyperglycemia, dyslipidemia, hyperlipidemia, hypercholesterolemia, hypertriglyceridemia, and obesity; compounds have a thiazolidinedione or an oxazolidinedione substituent PPARD, PPARG, PPARA TRPA1 2736/4885ALDH1A1 1823/4885TSHR 114/4885
US-20120277150-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE GPR119, GPR27, GPR65 TRPA1 118/4885ALDH1A1 2508/4885TSHR 527/4885

“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.