Sugi Predict

Sugi Predict / Compounds / SCHEMBL430431

SCHEMBL430431

SCHEMBL430431

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 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
SCHEMBL428247 0.89 CYP3A4 (0.55) CYP3A4ALDH1A1KDM4EHPGDHTT
SCHEMBL431555 0.79 LMNA (0.45) CYP3A4ALDH1A1KDM4EHPGDNPC1
SCHEMBL3999041 0.78 TDP1 (0.60) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL427791 0.77 CYP3A4 (0.53) CYP3A4ALDH1A1KDM4EHPGDHTT
SCHEMBL13354633 0.76 CYP3A4 (0.52) CYP3A4ALDH1A1KDM4EHPGDHTT
SCHEMBL426271 0.76 CYP3A4 (0.52) CYP3A4ALDH1A1KDM4EHPGDHTT
SCHEMBL425309 0.76 SMN1; SMN2 (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL429691 0.73 CYP3A4 (0.49) CYP3A4ALDH1A1KDM4EHPGDHTT
SCHEMBL2280965 0.72 CYP3A4 (0.60) CYP3A4ALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL349715 0.72 CYP3A4 (0.65) CYP3A4ALDH1A1HPGDHTTSMN1; SMN2

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 7 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

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 514/4885ALDH1A1 2007/4885KDM4E 4780/4885

“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.