Sugi Predict

Sugi Predict / Compounds / SCHEMBL3146705

SCHEMBL3146705

SCHEMBL3146705

C[C@@H](C(=O)Nc1ccncc1)c1ccc(C(=O)c2cccs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.64
▸ PTGS2 P35354 4/20 0.64
▸ HPGD P15428 3/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ KMT2A Q03164 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ HPGDS O60760 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL11707606 0.88 LMNA (0.61) PTGS1PTGS2HPGDCYP2C9ALDH1A1
SCHEMBL13880085 0.85 HPGD (0.72) PTGS1PTGS2HPGDCYP2C9ALDH1A1
SCHEMBL11703606 0.83 HPGD (0.72) PTGS1PTGS2HPGDCYP2C9ALDH1A1
SCHEMBL11703369 0.80 HPGD (0.76) PTGS1PTGS2HPGDCYP2C9ALDH1A1
SCHEMBL4925928 0.80 HPGD (0.76) PTGS1PTGS2HPGDCYP2C9ALDH1A1
SCHEMBL11705864 0.79 MEN1 (0.63) PTGS1PTGS2HPGDCYP2C9ALDH1A1
SCHEMBL11705875 0.79 MEN1 (0.63) PTGS1PTGS2HPGDCYP2C9ALDH1A1
SCHEMBL12286991 0.78 HPGD (0.83) PTGS1PTGS2HPGDCYP2C9ALDH1A1
(R)-Suprofen SCHEMBL1122667 0.78 PTGS2 (1.00) PTGS1PTGS2HPGDCYP2C9ALDH1A1
Suprofen SCHEMBL23792 0.78 PTGS2 (1.00) PTGS1PTGS2HPGDCYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705050-B2 Amides, useful in the inhibition of IL-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-04-27 — — US disclosed
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 — — EP disclosed
US-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-16 — — US disclosed
EP-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 — — EP disclosed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 — — 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-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils CXCL8, MMP8, CCR8 PTGS1 171/4885PTGS2 219/4885HPGD 152/4885

“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.