SCHEMBL2055562

SCHEMBL2055562

C[C@H](C(N)=O)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.60
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP2 P08253 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.39
DPP4 P27487 2/20 0.39
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL885301 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2MMP2
SCHEMBL27666541 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2MMP2
SCHEMBL931217 1.00 EPHX1 (0.60) EPHX1CA12CA1CA2MMP2
Hydrochloric Acid SCHEMBL6758598 0.98 EPHX1 (0.58) EPHX1CA12CA1CA2MMP2
SCHEMBL5973016 0.98 EPHX1 (0.58) EPHX1CA12CA1CA2MMP2
Hydrochloric Acid SCHEMBL5392442 0.98 EPHX1 (0.58) EPHX1CA12CA1CA2MMP2
SCHEMBL930716 0.98 EPHX1 (0.56) EPHX1CA12CA1CA2MMP2
Hydrochloric Acid SCHEMBL5928655 0.96 EPHX1 (0.56) EPHX1CA12CA1CA2MMP2
SCHEMBL930588 0.93
SCHEMBL11682920 0.87 ALOX5 (0.48) EPHX1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414448-B It can be used as the new compound of S100- inhibitor 活跃生物技术有限公司 2019-04-19 CN disclosed
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
CN-106414448-A Novel compounds useful as s100-inhibitors 活跃生物技术有限公司 2017-02-15 CN disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 WO disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
US-8921380-B2 Pyrazolo[1,5-a] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-12-30 US disclosed
EP-2520577-A1 Pyrazolo[1,5-a]pyrimidine compounds as CB1 receptor antagonists Mitsubishi Tanabe Pharma Corporation (JP) 2012-11-07 EP disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST TANIMOTO KOICHI (JP) 2012-08-09 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-8163759-B2 Pyrazolo[1,5-A] pyrimidine compounds as CB1 receptor antagonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-04-24 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 US disclosed
WO-2008004698-A2 PYRAZOLO [1, 5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-01-10 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 (3 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-20120202992-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR EPHX1 1518/4885CA12 2997/4885CA1 1348/4885
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B EPHX1 2721/4885CA12 2175/4885CA1 1947/4885
US-20090258867-A1 PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AS CB1 RECEPTOR ANTAGONIST CNR1, CNR2, CCKAR EPHX1 1404/4885CA12 2577/4885CA1 1086/4885

“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.