SCHEMBL16729249

SCHEMBL16729249

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nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CTSS P25774 3/20 0.43
CTSK P43235 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TYR P14679 2/20 0.36
LMNA P02545 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.35
FPR2 P25090 2/20 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
SCHEMBL17772168 0.85 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1MEN1
SCHEMBL1806573 0.85 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1MEN1
SCHEMBL15585678 0.85 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1MEN1
SCHEMBL204043 0.85 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1MEN1
SCHEMBL6469 0.85 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1MEN1
SCHEMBL525493 0.85 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1MEN1
SCHEMBL9977456 0.85 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1MEN1
SCHEMBL5988691 0.81 ALDH1A1 (0.43) ALDH1A1CTSSCTSKL3MBTL1CTSL
SCHEMBL8234437 0.81 ALDH1A1 (0.43) ALDH1A1CTSSCTSKL3MBTL1CTSL
SCHEMBL3265211 0.81 ALDH1A1 (0.43) ALDH1A1CTSSCTSKL3MBTL1CTSL

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-20150141326-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-05-21 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-20150141326-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 ALDH1A1 3925/4885CTSS 1067/4885CTSK 1681/4885

“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.