SCHEMBL17023255

SCHEMBL17023255

Cc1cc(C)c(ON[SH](=O)=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL6571405 0.74 RAPGEF4 (0.43) RAPGEF4CA1CA2MMP1MMP2
Water SCHEMBL28948684 0.68 RAPGEF4 (0.33) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL9116079 0.67 CA1 (0.42) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL1047352 0.66 RAPGEF4 (0.39) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL9682715 0.65 RAPGEF4 (0.41) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL11420240 0.65 RAPGEF4 (0.43) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL242786 0.65 RAPGEF4 (0.43) RAPGEF4ALDH1A1KMT2AMAPT
Phosphine SCHEMBL22634061 0.63 RAPGEF4 (0.41) RAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL10798387 0.63 RAPGEF4 (0.41) RAPGEF4ALDH1A1KMT2AMAPT
SCHEMBL129762 0.63 ACHE (0.57) RAPGEF4ALDH1A1KMT2AMAPTF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106164073-A Substituted fused heterocycles as gpr119 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders 赛诺菲 2016-11-23 CN disclosed
US-9221807-B2 Substituted pyridones and pyrazinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-12-29 US disclosed
US-20150239875-A1 SUBSTITUTED PYRIDONES AND PYRAZINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-27 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 (1 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-20150239875-A1 SUBSTITUTED PYRIDONES AND PYRAZINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY SERPINB1, ELANE, EPX RAPGEF4 2514/4885CA1 4543/4885CA2 4174/4885

“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.