SCHEMBL14600170

SCHEMBL14600170

N/C(=C\C(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ SLC7A5 Q01650 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CTSD P07339 1/20 0.36
▸ CES1 P23141 2/20 0.36
▸ CES2 O00748 1/20 0.36
▸ AKR1B1 P15121 1/20 0.36
▸ SRR Q9GZT4 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ CPA1 P15085 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL11913036 1.00 EPHX1 (0.39) EPHX1HPGDALPIPKMPTGS1
SCHEMBL2059512 1.00 EPHX1 (0.39) EPHX1HPGDALPIPKMPTGS1
SCHEMBL2059511 1.00 EPHX1 (0.39) EPHX1HPGDALPIPKMPTGS1
SCHEMBL8947146 1.00 EPHX1 (0.39) EPHX1HPGDALPIPKMPTGS1
SCHEMBL5204924 1.00 EPHX1 (0.39) EPHX1HPGDALPIPKMPTGS1
SCHEMBL13541094 0.93 L3MBTL1 (0.41) EPHX1HPGDALDH1A1
SCHEMBL2438636 0.89 ALOX5 (0.51) PTGS1
SCHEMBL2438637 0.89 ALOX5 (0.51) PTGS1
SCHEMBL2434733 0.86 DPP4 (0.40) —
SCHEMBL2440000 0.86 DPP4 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 EPHX1 3164/4885HPGD 1843/4885ALPI 1902/4885

“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.

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