SCHEMBL15817188

SCHEMBL15817188

CCNCCN1C(=O)SC(=Cc2ccc(OCC)cc2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.73
▸ MAOA P21397 2/20 0.73
▸ MAOB P27338 2/20 0.73
▸ MAPT P10636 3/20 0.55
▸ GAA P10253 1/20 0.55
▸ RAB9A P51151 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ PPARG P37231 2/20 0.53
▸ CISD1 Q9NZ45 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PIM1 P11309 1/20 0.50
▸ PIM2 Q9P1W9 1/20 0.50

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
SCHEMBL15817186 1.00 MAPK1 (0.73) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15817187 1.00 MAPK1 (0.73) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816657 0.89 MAPK1 (0.74) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816659 0.89 MAPK1 (0.74) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816660 0.89 MAPK1 (0.74) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816945 0.89 MAPK1 (0.67) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816946 0.89 MAPK1 (0.67) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816944 0.89 MAPK1 (0.67) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15818349 0.88 MAPK1 (0.83) MAPK1MAOAMAOBMAPTRAB9A
SCHEMBL15818347 0.88 MAPK1 (0.83) MAPK1MAOAMAOBMAPTRAB9A

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

“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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