SCHEMBL9980202

SCHEMBL9980202

N[C@H](CCC=O)COOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 3/20 0.38
EPHX1 P07099 1/20 0.37
IDO1 P14902 1/20 0.37
AGXT P21549 1/20 0.36
TSHR P16473 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LTA4H P09960 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 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 0.79 LTA4H (0.47) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL8742456 0.78 EPHX1 (0.59) EPHX1
SCHEMBL28285993 0.77 SLC1A1 (0.50) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL14517178 0.73 KMT2A (0.49) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL12873771 0.73 KMT2A (0.49) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL9980206 0.71 LTA4H (0.38) SLC1A1SLC1A3SLC1A2MEN1CYP1A2
SCHEMBL13541072 0.71 EPHX1 (0.50) CYP1A2CYP2C19TACR1EPHX1LTA4H
SCHEMBL5152042 0.71 TACR1 (0.49) SLC1A1TACR1TSHRCA1CA2
SCHEMBL5152036 0.71 TACR1 (0.49) SLC1A1TACR1TSHRCA1CA2
SCHEMBL27867016 0.71 TACR1 (0.42) SLC1A1SLC1A3SLC1A2MEN1CYP1A2

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 SLC1A1 4071/4885SLC1A3 4230/4885SLC1A2 4696/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SLC1A1 4071/4885SLC1A3 4230/4885SLC1A2 4696/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SLC1A1 4071/4885SLC1A3 4230/4885SLC1A2 4696/4885

“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.