SCHEMBL428247

SCHEMBL428247

COC(=O)c1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LCK P06239 1/20 0.39
CTSL P07711 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
CDK1 P06493 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL430431 0.89 CYP3A4 (0.50) CYP3A4KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL427791 0.80 CYP3A4 (0.53) CYP3A4KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL426271 0.79 CYP3A4 (0.52) CYP3A4KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL13354633 0.79 CYP3A4 (0.52) CYP3A4KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL7582272 0.79 NR4A2 (0.43) CYP3A4KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL427228 0.79 GAA (0.56) CYP3A4KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL9060136 0.76 SMN1; SMN2 (0.69) KDM4EL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL429691 0.76 CYP3A4 (0.49) CYP3A4KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL424727 0.75 ALDH1A1 (0.46) L3MBTL1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL9430586 0.75 KDM4E (0.55) KDM4EL3MBTL1MAPTSMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 US disclosed
WO-2010057118-A2 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-05-20 WO 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-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 514/4885KDM4E 4780/4885L3MBTL1 4032/4885

“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.