Sugi Predict

Sugi Predict / Compounds / SCHEMBL2285249

SCHEMBL2285249

SCHEMBL2285249

COc1ccc(CC(=O)O)cc1Cc1ccc(NC(=O)C(C)(C)C)cc1CSC(C)(C)C

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.75
▸ CPT1A P50416 2/20 0.41
▸ CPT1B Q92523 2/20 0.41
▸ NR1H4 Q96RI1 4/20 0.41
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GNRHR P30968 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ CA5A P35218 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ FABP4 P15090 1/20 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
SCHEMBL12515758 0.93 CYP3A4 (0.65) CYP3A4CPT1ACPT1BNR1H4L3MBTL1
SCHEMBL12515776 0.89 CYP3A4 (0.60) CYP3A4GNRHRALDH1A1CYP1A2CYP2C9
SCHEMBL2280965 0.89 CYP3A4 (0.60) CYP3A4GAAL3MBTL1GNRHRALDH1A1
SCHEMBL12515775 0.88 CYP3A4 (0.59) CYP3A4GNRHRALDH1A1CYP1A2CYP2C9
Am-461 SCHEMBL29567409 0.85 CYP3A4 (1.00) CYP3A4NR1H4GAAL3MBTL1ALDH1A1
Am-461 SCHEMBL349848 0.85 CYP3A4 (1.00) CYP3A4NR1H4GAAL3MBTL1ALDH1A1
Am-461 SCHEMBL14715969 0.85 CYP3A4 (0.98) CYP3A4NR1H4GAAL3MBTL1ALDH1A1
Am-461 SCHEMBL14715972 0.85 CYP3A4 (0.98) CYP3A4NR1H4GAAL3MBTL1ALDH1A1
SCHEMBL349829 0.80 CYP3A4 (0.82) CYP3A4NR1H4GAAL3MBTL1GNRHR
SCHEMBL350178 0.79 CYP3A4 (0.81) CYP3A4ALDH1A1PTGDR2

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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 — — US claimed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 — — WO claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 — — US disclosed
WO-2011085033-A2 DP2 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2011-07-14 — — WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 — — 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-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885CPT1A 1216/4885CPT1B 679/4885

“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.