SCHEMBL429690

SCHEMBL429690

CC(C)(C)SCc1cc(NC(=O)C(C)(C)C)ccc1CC(=N)NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
LCK P06239 1/20 0.37
CTSL P07711 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 2/20 0.36

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
SCHEMBL427791 0.82 CYP3A4 (0.53) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL426271 0.81 CYP3A4 (0.52) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL13354633 0.81 CYP3A4 (0.52) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL10167756 0.80 CYP3A4 (0.52) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL429691 0.78 CYP3A4 (0.49) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL428247 0.74 CYP3A4 (0.55) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL430431 0.71 CYP3A4 (0.50) CYP3A4L3MBTL1MAPTLMNANPSR1
SCHEMBL430436 0.71 CYP3A4 (0.49) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL426454 0.71 CYP3A4 (0.54) CYP3A4L3MBTL1MAPTLMNATP53
SCHEMBL2285249 0.71 CYP3A4 (0.75) CYP3A4L3MBTL1LMNAALDH1A1

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-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

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 514/4885L3MBTL1 4032/4885MAPT 4863/4885

“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.