Sugi Predict

Sugi Predict / Compounds / SCHEMBL981548

SCHEMBL981548

SCHEMBL981548

O=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1ccc(-c2ncco2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.40
▸ FAAH O00519 1/20 0.37
▸ CETP P11597 4/20 0.37
▸ TRPV1 Q8NER1 5/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ DDX3X O00571 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL4969666 0.83 EPHX2 (0.41) EPHX2CETPTRPV1HDAC4NPC1
SCHEMBL983406 0.83 EPHX2 (0.38) EPHX2FAAHTRPV1NPC1RAB9A
SCHEMBL4967217 0.82 IMPDH2 (0.46) EPHX2HDAC4KDM4ENPC1ALDH1A1
SCHEMBL4965996 0.76 TP53 (0.37) EPHX2HDAC4NPC1ALDH1A1MAPT
SCHEMBL14493794 0.74 RHOA (0.43) EPHX2
SCHEMBL984225 0.71 HDAC4 (0.49) EPHX2HDAC4KDM4EALDH1A1HPGD
SCHEMBL4649024 0.70 HDAC4 (0.34) HDAC4NTRK1
SCHEMBL4969789 0.69 IMPDH2 (0.42) EPHX2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL4969796 0.69 IMPDH2 (0.42) EPHX2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL4966287 0.67 NPC1 (0.41) EPHX2HDAC4KDM4ENPC1ALDH1A1

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
EP-1960351-B1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS HOFFMANN LA ROCHE (CH) 2013-06-19 — — EP disclosed
US-7868031-B2 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2011-01-11 — — US disclosed
US-7868031-B2 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC (US) 2011-01-11 — — US disclosed
EP-1960351-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 — — EP disclosed
WO-2007065821-A1 PROPIONAMIDE COMPOUNDS AS ANTIINFLAMMATORY AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 — — WO disclosed
US-20070135500-A1 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 — — US disclosed
US-20070135500-A1 Propionamide compounds as antiinflammatory agents ROCHE PALO ALTO LLC 2007-06-14 — — US 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-20070135500-A1 Propionamide compounds as antiinflammatory agents PTGS1, PTGER1, PTGES3 EPHX2 625/4885FAAH 149/4885CETP 1448/4885

“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.