SCHEMBL13628212

SCHEMBL13628212

COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(Cc2cc(F)cc4c2OCOC4)C(=O)/C3=N\O)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
TRIM24 O15164 1/20 0.39
LMNA P02545 3/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
NLRP3 Q96P20 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL13628154 0.90 CA12 (0.36) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL13628210 0.87 AURKA (0.42) MAPTALDH1A1AURKAKDRAURKB
SCHEMBL13628209 0.87 AURKA (0.39) ALDH1A1AURKAKDRAURKB
SCHEMBL13628077 0.87 TSHR (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL13637453 0.86 RPS6KA2 (0.42) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL13628288 0.85 TSHR (0.36) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL13628211 0.85 BRD4 (0.38) ALDH1A1AURKAKDRAURKBBRD4
SCHEMBL13628049 0.84 ALDH1A1 (0.40) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL13628324 0.83 TSHR (0.39) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL13628148 0.83 MAPK8 (0.37) ALDH1A1KDRSMN1; SMN2KDM4E

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-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-7612065-B2 Inhibitors of c-JUN N-terminal kinases (JNK) VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 US disclosed
US-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) SALITURO FRANCESCO G 2008-02-07 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-20080033022-A1 Inhibitors of c-Jun N-terminal kinases (JNK) MAP3K1, JUN, MAP3K7 MAPT 1666/4885ALDH1A1 4310/4885KMT2A 3594/4885

“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.