SCHEMBL20055159

SCHEMBL20055159

COC(=O)N[C@@H](C(C)C)C(O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 1/20 0.31
CA12 O43570 2/20 0.30
CA14 Q9ULX7 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL20622277 1.00 CYP2D6 (0.41) CYP2D6SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL10052320 0.87 CYP2D6 (0.40) CYP2D6SMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL14705114 0.82 CYP2D6 (0.32) CYP2D6
SCHEMBL14853060 0.79 CYP2D6 (0.36) CYP2D6SMN1; SMN2TAS1R3TAS1R1
SCHEMBL19318582 0.79 CYP2D6 (0.43) CYP2D6SMN1; SMN2TAS1R3TAS1R1CA12
SCHEMBL12061932 0.79 CYP2D6 (0.36) CYP2D6SMN1; SMN2TAS1R3TAS1R1
SCHEMBL21366071 0.79 CYP2D6 (0.65) CYP2D6CA12CA14CA1CA2
SCHEMBL21729501 0.79 CYP2D6 (0.65) CYP2D6CA12CA14CA1CA2
SCHEMBL12061912 0.76 CYP2D6 (0.38) CYP2D6SMN1; SMN2CA12CA1CA2
SCHEMBL20221233 0.76 CYP2D6 (0.41) CYP2D6SMN1; SMN2CA1CA2

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-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP 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-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2D6 2617/4885SMN1; SMN2 1564/4885TAS1R3 3913/4885

“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.