SCHEMBL15816991

SCHEMBL15816991

CCOc1ccc(/C=C2\SC(=S)N(CCN)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 1.00
▸ MAOA P21397 1/20 0.78
▸ MAOB P27338 1/20 0.78
▸ MAPT P10636 4/20 0.74
▸ RAB9A P51151 2/20 0.74
▸ NCOA3 Q9Y6Q9 2/20 0.74
▸ MITF O75030 1/20 0.74
▸ ALDH1A1 P00352 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ CTDSP1 Q9GZU7 2/20 0.61
▸ CACNA1B Q00975 1/20 0.61
▸ APBA1 Q02410 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ UBA2 Q9UBT2 1/20 0.61
▸ POLB P06746 2/20 0.60

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
SCHEMBL15816995 1.00 MAPK1 (1.00) MAPK1MAOAMAOBMAPTRAB9A
SCHEMBL15816994 1.00 MAPK1 (1.00) MAPK1MAOAMAOBMAPTRAB9A
Hiazolidinedione1 SCHEMBL12652927 0.88 MAPK1 (1.00) MAPK1MAOAMAOBMAPTRAB9A
Hiazolidinedione1 SCHEMBL569132 0.88 MAPK1 (1.00) MAPK1MAOAMAOBMAPTRAB9A
Hiazolidinedione1 SCHEMBL569131 0.88 MAPK1 (1.00) MAPK1MAOAMAOBMAPTRAB9A
SCHEMBL20006042 0.88 MAPK1 (0.78) MAPK1MAOAMAOBMAPTRAB9A
SCHEMBL18103079 0.88 MAPK1 (0.78) MAPK1MAOAMAOBMAPTRAB9A
Hiazolidinedione1 SCHEMBL15021963 0.87 MAPK1 (0.98) MAPK1MAOAMAOBMAPTRAB9A
Hiazolidinedione1 SCHEMBL15021964 0.87 MAPK1 (0.98) MAPK1MAOAMAOBMAPTRAB9A
SCHEMBL12008749 0.85 MAPT (1.00) MAPK1MAOAMAPTRAB9ANCOA3

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 4 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-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
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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