Sugi Predict

Sugi Predict / Compounds / SCHEMBL430436

SCHEMBL430436

SCHEMBL430436

CC(C)(C)SCc1cc(NC(=O)C(C)(C)C)ccc1Cc1noc(CC(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ MAPT P10636 5/20 0.40
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NR1H4 Q96RI1 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LCK P06239 1/20 0.31
▸ CTSL P07711 1/20 0.31

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
SCHEMBL425162 0.88 CYP3A4 (0.42) CYP3A4MAPTTP53LMNASMN1; SMN2
SCHEMBL427791 0.74 CYP3A4 (0.53) CYP3A4MAPTTP53LMNAL3MBTL1
SCHEMBL2285249 0.73 CYP3A4 (0.75) CYP3A4LMNAL3MBTL1NR1H4PTGDR2
SCHEMBL426271 0.73 CYP3A4 (0.52) CYP3A4MAPTTP53LMNAL3MBTL1
SCHEMBL13354633 0.73 CYP3A4 (0.52) CYP3A4MAPTTP53LMNAL3MBTL1
SCHEMBL426454 0.71 CYP3A4 (0.54) CYP3A4MAPTTP53LMNAL3MBTL1
SCHEMBL429690 0.71 CYP3A4 (0.50) CYP3A4MAPTTP53LMNAL3MBTL1
SCHEMBL429691 0.70 CYP3A4 (0.49) CYP3A4MAPTTP53LMNAL3MBTL1
SCHEMBL10167756 0.70 CYP3A4 (0.52) CYP3A4MAPTTP53LMNAL3MBTL1
SCHEMBL12515758 0.69 CYP3A4 (0.65) CYP3A4MAPTTP53LMNAL3MBTL1

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 8 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-8383654-B2 Heterocyclic antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-26 — — US disclosed
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
US-20120022119-A1 HETEROCYCLIC ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-26 — — 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
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 514/4885MAPT 4863/4885TP53 4473/4885

“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.