SCHEMBL15816605

SCHEMBL15816605

CCOc1ccc(C=C2SC(=O)N(CCNCc3ccccc3)C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.65
▸ MAOB P27338 5/20 0.65
▸ MAPK1 P28482 4/20 0.65
▸ ENPP2 Q13822 2/20 0.58
▸ AKR1B1 P15121 2/20 0.55
▸ PTPN1 P18031 2/20 0.53
▸ MAPT P10636 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NCOA3 Q9Y6Q9 1/20 0.52
▸ PTPRF P10586 1/20 0.51
▸ PTPN2 P17706 1/20 0.51
▸ PTPRB P23467 1/20 0.51
▸ ACP1 P24666 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL15816601 1.00 MAOA (0.65) MAOAMAOBMAPK1ENPP2AKR1B1
SCHEMBL15816604 1.00 MAOA (0.65) MAOAMAOBMAPK1ENPP2AKR1B1
SCHEMBL15831493 0.89 MEN1 (0.63) MAOAMAOBMAPK1ENPP2PTPN1
SCHEMBL15816123 0.88 MAPK1 (0.60) MAOAMAOBMAPK1ENPP2MAPT
SCHEMBL15816125 0.88 MAPK1 (0.60) MAOAMAOBMAPK1ENPP2MAPT
SCHEMBL15816121 0.88 MAPK1 (0.60) MAOAMAOBMAPK1ENPP2MAPT
SCHEMBL15817187 0.87 MAPK1 (0.73) MAOAMAOBMAPK1MAPTMITF
SCHEMBL15817188 0.87 MAPK1 (0.73) MAOAMAOBMAPK1MAPTMITF
SCHEMBL15817186 0.87 MAPK1 (0.73) MAOAMAOBMAPK1MAPTMITF
SCHEMBL15816657 0.84 MAPK1 (0.74) MAOAMAOBMAPK1MAPTMITF

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 MAOA 4054/4885MAOB 3865/4885MAPK1 1/4885

“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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