SCHEMBL2931410

SCHEMBL2931410

COc1cccc(CNC(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.70
ALDH1A1 P00352 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
HTT P42858 1/20 0.70
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
APEX1 P27695 1/20 0.64
HPGD P15428 3/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 1/20 0.63
EPHX2 P34913 2/20 0.62
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62

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
Isobutane SCHEMBL12492141 0.90 ALDH1A1 (0.59) MMP13ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL3815151 0.88 ALDH1A1 (0.72) MMP13ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL660541 0.87 MMP13 (0.70) MMP13ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL18175810 0.85 ALDH1A1 (0.68) MMP13ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL8245692 0.85 ALDH1A1 (0.68) MMP13ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL30104666 0.85 ALDH1A1 (0.68) MMP13ALDH1A1SMN1; SMN2HTTMEN1
Hydrochloric Acid SCHEMBL29194804 0.85 MMP13 (0.68) MMP13ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL9726446 0.84 ALDH1A1 (0.63) MMP13ALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL7134254 0.84 MMP13 (0.86) MMP13ALDH1A1SMN1; SMN2HTTAPEX1
SCHEMBL13853495 0.84 ALDH1A1 (0.67) MMP13ALDH1A1SMN1; SMN2HTTMEN1

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-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US claimed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO claimed
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US claimed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN claimed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN claimed
EP-2488493-B1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2015-04-15 EP disclosed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
CN-101868457-B (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2013-02-13 CN disclosed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 CN disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
CN-100366605-C Compounds to treat alzheimer's disease ELAN PHARM INC (US) 2008-02-06 CN disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 WO disclosed
CN-1447789-A Compounds for treating alzheimer's disease ELAN PHARM INC (US) 2003-10-08 CN disclosed
EP-0031385-A1 PROCESS FOR PREPARING POLYMETHYLENEPOLYPHENYL POLYCARBAMATE MITSUI TOATSU CHEMICALS, Inc. (JP) 1981-07-08 EP 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP MMP13 567/4885ALDH1A1 1036/4885SMN1; SMN2 3262/4885
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF MMP13 96/4885ALDH1A1 2060/4885SMN1; SMN2 4113/4885

“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.