SCHEMBL15816050

SCHEMBL15816050

CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C(F)(F)F)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.64
▸ MAOA P21397 1/20 0.64
▸ MAOB P27338 1/20 0.64
▸ MAPT P10636 4/20 0.58
▸ GAA P10253 1/20 0.58
▸ LMNA P02545 3/20 0.57
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MITF O75030 1/20 0.53
▸ NCOA3 Q9Y6Q9 1/20 0.53
▸ PAX8 Q06710 1/20 0.52
▸ PPARG P37231 3/20 0.52
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 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
SCHEMBL15816049 1.00 MAPK1 (0.64) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816052 1.00 MAPK1 (0.64) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816563 0.88 MAPK1 (0.69) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816988 0.88 MAPK1 (0.69) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816987 0.88 MAPK1 (0.69) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816566 0.88 MAPK1 (0.69) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15816564 0.88 MAPK1 (0.69) MAPK1MAOAMAOBMAPTGAA
SCHEMBL15828865 0.86 MAPT (0.62) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL15828895 0.84 MAPT (0.59) MAPK1MAOAMAOBMAPTLMNA
SCHEMBL15817235 0.84 MAPK1 (0.69) MAPK1MAOAMAOBMAPTGAA

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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