Sugi Predict

Sugi Predict / Compounds / SCHEMBL4014465

SCHEMBL4014465

SCHEMBL4014465

COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2OCCc2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.51
▸ TAS1R1 Q7RTX1 2/20 0.51
▸ PTGER4 P35408 6/20 0.51
▸ PTGER2 P43116 2/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ DNMT3A Q9Y6K1 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PTGER1 P34995 2/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ USP10 Q14694 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4017992 0.93 PTGER4 (0.60) PTGER4PTGER2MEN1KMT2AALDH1A1
SCHEMBL692213 0.91 PTGER4 (0.61) TAS1R3TAS1R1PTGER4PTGER2ALDH1A1
SCHEMBL4565310 0.86 PTGER4 (0.50) TAS1R3TAS1R1PTGER4PTGER2ALDH1A1
SCHEMBL4020997 0.85 PTGER4 (0.53) TAS1R3TAS1R1PTGER4PTGER2MEN1
SCHEMBL4019942 0.85 PTGER4 (0.53) PTGER4PTGER2MEN1KMT2AALDH1A1
SCHEMBL4311595 0.85 PTGER4 (0.53) TAS1R3TAS1R1PTGER4PTGER2MEN1
SCHEMBL4016830 0.85 PTGER4 (0.50) TAS1R3TAS1R1PTGER4PTGER2MEN1
SCHEMBL4015417 0.84 PTGER4 (0.52) TAS1R3TAS1R1PTGER4PTGER2MEN1
SCHEMBL27686222 0.84 PTGER4 (0.55) TAS1R3TAS1R1PTGER4PTGER2MEN1
SCHEMBL692571 0.84 PTGER4 (0.72) PTGER4PTGER2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 — — EP disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 — — WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 — — US disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 — — EP disclosed
US-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 — — US disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 — — 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 (2 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 TAS1R3 2188/4885TAS1R1 2305/4885PTGER4 19/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 TAS1R3 821/4885TAS1R1 1007/4885PTGER4 1/4885

“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.