SCHEMBL15828865

SCHEMBL15828865

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

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.62
▸ LMNA P02545 4/20 0.62
▸ NPC1 O15118 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ PPARG P37231 2/20 0.56
▸ AKR1B1 P15121 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ MYC P01106 1/20 0.51
▸ PTPN7 P35236 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL15828896 0.89 KMT2A (0.57) MAPTLMNANPC1KMT2ASMN1; SMN2
SCHEMBL15828895 0.89 MAPT (0.59) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL15828915 0.89 PPARG (0.58) MAPTLMNANPC1KMT2APPARG
SCHEMBL15816052 0.86 MAPK1 (0.64) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL15816050 0.86 MAPK1 (0.64) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL15816049 0.86 MAPK1 (0.64) MAPTLMNANPC1SMN1; SMN2RAB9A
SCHEMBL15828907 0.78 CISD1 (0.72) NPC1KMT2AALDH1A1PPARGMEN1
SCHEMBL15828918 0.78 HDAC1 (0.59) —
SCHEMBL17927295 0.77 MYC (0.70) MAPTLMNANPC1KMT2ASMN1; SMN2
SCHEMBL17927296 0.77 MYC (0.70) MAPTLMNANPC1KMT2ASMN1; SMN2

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 MAPT 3850/4885LMNA 3633/4885NPC1 1828/4885

“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.

Send feedback