SCHEMBL21898096

SCHEMBL21898096

CC(=O)[C@@H](NC(=O)N1CCCC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
CCR1 P32246 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL15429942 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PKMCCR1CYP1A2CYP2C9
SCHEMBL15429750 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PKMCCR1CYP1A2CYP2C9
SCHEMBL7339063 0.85 SMN1; SMN2 (0.45) SMN1; SMN2PKMCCR1CYP1A2CYP2C9
SCHEMBL21896240 0.85 SMN1; SMN2 (0.44) SMN1; SMN2PKMCCR1CYP1A2CYP2C9
SCHEMBL15429735 0.85 SMN1; SMN2 (0.44) SMN1; SMN2PKMCCR1CYP1A2CYP2C9
SCHEMBL7339055 0.85 SMN1; SMN2 (0.45) SMN1; SMN2PKMCCR1CYP1A2CYP2C9
SCHEMBL21142541 0.83 PREP (0.43) SMN1; SMN2PKMCYP1A2CYP2C9MEN1
SCHEMBL21142539 0.83 SMN1; SMN2 (0.66) SMN1; SMN2PKMMEN1KMT2AHTT
SCHEMBL16580220 0.83 SMN1; SMN2 (0.66) SMN1; SMN2PKMMEN1KMT2AHTT
SCHEMBL21898077 0.82 RAB9A (0.42) SMN1; SMN2PKMCCR1CYP1A2CYP2C9

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-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 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-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 SMN1; SMN2 1564/4885PKM 2971/4885CCR1 795/4885

“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.