SCHEMBL15828915

SCHEMBL15828915

Cc1ccc(/C=C2\SC(=O)N(CNC(=O)C(F)(F)F)C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.58
▸ AKR1B1 P15121 5/20 0.55
▸ MEN1 O00255 1/20 0.53
▸ PTPN7 P35236 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KDR P35968 1/20 0.48

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
SCHEMBL15828865 0.89 MAPT (0.62) PPARGAKR1B1MEN1PTPN7KMT2A
SCHEMBL15828903 0.83 PPARG (0.60) PPARGAKR1B1MEN1PTPN7KMT2A
SCHEMBL15828896 0.80 KMT2A (0.57) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL15828895 0.77 MAPT (0.59) AKR1B1NPC1LMNAMAPT
SCHEMBL20534607 0.76 AKR1B1 (0.78) PPARGAKR1B1MEN1PTPN7KMT2A
SCHEMBL20534368 0.76 AKR1B1 (0.78) PPARGAKR1B1MEN1PTPN7KMT2A
SCHEMBL15816052 0.76 MAPK1 (0.64) PPARGNPC1LMNAMAPT
SCHEMBL15816049 0.76 MAPK1 (0.64) PPARGNPC1LMNAMAPT
SCHEMBL15816050 0.76 MAPK1 (0.64) PPARGNPC1LMNAMAPT
SCHEMBL15828907 0.74 CISD1 (0.72) PPARGMEN1PTPN7KMT2ANPC1

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 PPARG 4425/4885AKR1B1 1067/4885MEN1 1957/4885

“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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