SCHEMBL9980206

SCHEMBL9980206

CON(C)C(=O)CC[C@@H](N)COOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.38
APP P05067 1/20 0.37
EGFR P00533 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC1A1 P43005 3/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 2/20 0.36
LAP3 P28838 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC15A1 P46059 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
SCHEMBL13071188 0.81 LTA4H (0.47) LTA4HSLC1A1SLC1A3SLC1A2MEN1
SCHEMBL14985679 0.80 LTA4H (0.47) LTA4HSLC1A1SLC1A3LAP3ALDH1A1
SCHEMBL8358798 0.74 AOC3 (0.48) APPNPC1RAB9ASLC1A1SLC1A3
SCHEMBL18936422 0.73 NPC1 (0.44) APPEGFRNPC1RAB9AKMT2A
SCHEMBL1727025 0.72 KMT2A (0.62) NPC1RAB9AMEN1KMT2AALOX5
SCHEMBL9980202 0.71 SLC1A1 (0.41) LTA4HSLC1A1SLC1A3SLC1A2MEN1
SCHEMBL29500229 0.71 ALDH1A1 (0.42) APPKMT2AALOX5ALDH1A1SLC15A1
SCHEMBL4313267 0.71 FOLH1 (0.52) ALDH1A1
SCHEMBL4313271 0.71 FOLH1 (0.52) ALDH1A1
SCHEMBL8240649 0.70 L3MBTL1 (0.44) APPNPC1RAB9AALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (3 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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LTA4H 3111/4885APP 3888/4885EGFR 4034/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LTA4H 3111/4885APP 3888/4885EGFR 4034/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 LTA4H 3111/4885APP 3888/4885EGFR 4034/4885

“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.