SCHEMBL5050487

SCHEMBL5050487

NC[C@@H]([C]=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
SLC6A2 P23975 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP2A6 P11509 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP1A2 P05177 1/20 0.42
LAP3 P28838 3/20 0.41
ANPEP P15144 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
CYP2D6 P10635 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
SCHEMBL5049235 1.00 EPHX1 (0.46) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL19812666 1.00 EPHX1 (0.46) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL1697450 0.87 CYP1A2 (0.48) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL27758693 0.85 CYP1A2 (0.46) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL19812641 0.84 EPHX1 (0.43) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL9542370 0.81 HTR2A (0.46) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8759048 0.79 CYP1A2 (0.42) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7320079 0.79 TRPA1 (0.46) EPHX1SLC6A2TAAR1MAOASLC6A4
SCHEMBL11252980 0.79 CTSC (0.47) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL28108544 0.79 FOLH1 (0.50) EPHX1TAAR1CYP1A2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP EPHX1 4613/4885ALPI 748/4885PKM 2927/4885

“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.