SCHEMBL21149285

SCHEMBL21149285

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ACACB O00763 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
SCHEMBL21150125 1.00 SMN1; SMN2 (0.35) SMN1; SMN2GAACA12CA1CA2
SCHEMBL21150126 0.81 HTT (0.39) SMN1; SMN2GAA
SCHEMBL20908169 0.81 HTT (0.39) SMN1; SMN2GAA
SCHEMBL23637708 0.79
SCHEMBL8141423 0.79 SMN1; SMN2 (0.39) SMN1; SMN2GAACA12CA1CA2
SCHEMBL8755734 0.79 SMN1; SMN2 (0.39) SMN1; SMN2GAACA12CA1CA2
SCHEMBL10125333 0.79 SMN1; SMN2 (0.39) SMN1; SMN2GAACA12CA1CA2
SCHEMBL25118258 0.77 SMN1; SMN2 (0.33) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL12075678 0.75 SMN1; SMN2 (0.32) SMN1; SMN2CA12CA1CA2MMP1
SCHEMBL14864784 0.75 SMN1; SMN2 (0.32) SMN1; SMN2CA12CA1CA2MMP1

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-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 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 (2 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN SMN1; SMN2 2891/4885GAA 80/4885CA12 2993/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN SMN1; SMN2 3372/4885GAA 130/4885CA12 2689/4885

“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.