SCHEMBL3431313

SCHEMBL3431313

CC(C)(C)OC(=O)N1C[C@H](OP)C(C)(C)[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
NR1H2 P55055 1/20 0.33
BTK Q06187 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
RORC P51449 2/20 0.31
USP2 O75604 1/20 0.30
HSD11B1 P28845 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
SCHEMBL875744 0.81 HSD17B10 (0.38) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL875743 0.81 HSD17B10 (0.38) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL27203890 0.72 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL27207278 0.72 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL883349 0.71 HSD17B10 (0.37) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL8353738 0.71 HSD17B10 (0.37) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL14401914 0.71 HSD17B10 (0.37) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL13689098 0.71 HSD17B10 (0.37) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL3428406 0.71 HSD17B10 (0.37) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL16349058 0.71 HSD17B10 (0.37) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP HSD17B10 2966/4885SMN1; SMN2 3001/4885NR1H2 2556/4885

“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.