SCHEMBL95176

SCHEMBL95176

[CH2]c1ccc(C(=O)NCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SPHK2 Q9NRA0 1/20 0.47
▸ SPHK1 Q9NYA1 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ NEK1 Q96PY6 1/20 0.46

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
SCHEMBL620074 0.89 POLB (0.66) POLBHPGDHTTMMP13CA12
SCHEMBL23146038 0.85 HPGD (0.53) POLBHPGDHTTMMP13CA12
SCHEMBL95372 0.82 KDM4E (0.60) POLBALDH1A1KDM4ELMNAKMT2A
SCHEMBL23671122 0.82 MAOB (0.68) POLBALDH1A1KDM4ESPHK2MAPK1
SCHEMBL23471096 0.82 POLB (0.58) POLBHPGDHTTMMP13CA12
SCHEMBL8142775 0.82 POLB (0.58) POLBHPGDHTTMMP13CA12
SCHEMBL24386099 0.80 POLB (0.56) POLBHPGDHTTMMP13CA12
SCHEMBL12893201 0.80 MMP13 (0.60) POLBHPGDHTTMMP13CA12
SCHEMBL1665183 0.80 OGG1 (0.59) POLBHPGDHTTMMP13CA12
SCHEMBL853629 0.80 KDM4E (0.61) POLBHPGDHTTMMP13CA12

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 — — CN claimed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 — — WO claimed
CN-114727983-A Xanthine CB1 inhibitors 金翅雀生物公司 2022-07-08 — — CN disclosed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 — — WO disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
US-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 — — US disclosed
US-7834037-B2 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2010-11-16 — — US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 — — EP disclosed
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular AMIRA PHARMACEUTICALS, INC. (US) 2009-01-15 — — US disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — 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 (5 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB POLB 1340/4885HPGD 2146/4885HTT 4495/4885
US-20090018170-A1 1,3,5-Substituted indole derivatives, e.g., 3-[3-tert-butylthio-1-[4-(6-methoxypyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-indol-2-yl]-2,2-dimethyl-propionic acid; used alone and in combination with other compounds for treating leukotriene-dependent diseases such as respiratory and cardiovascular LTC4S, ALOX5, LTA4H POLB 2738/4885HPGD 83/4885HTT 4120/4885
US-20110034514-A1 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors ALOX5, ALOX15B, ALOX15 POLB 1953/4885HPGD 81/4885HTT 4772/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 POLB 4329/4885HPGD 2322/4885HTT 4175/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 POLB 4329/4885HPGD 2322/4885HTT 4175/4885

“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.

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