SCHEMBL15816574

SCHEMBL15816574

CCOc1ccc(C=C2SC(=O)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.80
▸ PTPN1 P18031 5/20 0.69
▸ PTPN2 P17706 3/20 0.69
▸ ACP1 P24666 3/20 0.69
▸ PTPRF P10586 2/20 0.69
▸ PTPRB P23467 2/20 0.69
▸ MAPK1 P28482 2/20 0.67
▸ MAOA P21397 2/20 0.67
▸ MAOB P27338 2/20 0.67
▸ AKR1B1 P15121 2/20 0.62
▸ PIM1 P11309 1/20 0.61
▸ PIM2 Q9P1W9 1/20 0.61
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ PPARG P37231 1/20 0.59

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
SCHEMBL15816571 1.00 ENPP2 (0.80) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15816573 1.00 ENPP2 (0.80) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL14564276 0.89 ENPP2 (1.00) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15817070 0.88 MAPK1 (0.65) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15817069 0.88 MAPK1 (0.65) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15817846 0.88 MAPK1 (0.68) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15817072 0.88 MAPK1 (0.65) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15817851 0.88 MAPK1 (0.68) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15817849 0.88 MAPK1 (0.68) ENPP2PTPN1PTPN2ACP1PTPRF
SCHEMBL15817024 0.88 PTPN1 (0.81) ENPP2PTPN1PTPN2ACP1PTPRF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 ENPP2 1846/4885PTPN1 230/4885PTPN2 493/4885

“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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