SCHEMBL19997950

SCHEMBL19997950

CCC[C@](C)(C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CTSK P43235 10/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CA2 P00918 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KMT2A Q03164 2/20 0.34
CTSS P25774 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL19940940 1.00 CA1 (0.39) CA1CA7CA12CA14CTSK
SCHEMBL18125231 0.90 CTSK (0.39) CA1CA7CA12CA14CTSK
SCHEMBL19935590 0.90 CTSK (0.39) CA1CA7CA12CA14CTSK
SCHEMBL18124760 0.90 CTSK (0.39) CA1CA7CA12CA14CTSK
SCHEMBL19520048 0.88 MEN1 (0.39) CA1CA7CA12CA14CTSK
SCHEMBL18124815 0.88 MEN1 (0.39) CA1CA7CA12CA14CTSK
SCHEMBL25681688 0.81 TDP1 (0.41) CA1CA7CA12CA14CTSK
SCHEMBL20750944 0.81 TDP1 (0.41) CA1CA7CA12CA14CTSK
SCHEMBL22620489 0.81 TDP1 (0.41) CA1CA7CA12CA14CTSK
SCHEMBL18744245 0.81 CA12 (0.36) CA1CA7CA12CA14CTSK

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-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 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-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 CA1 4827/4885CA7 4707/4885CA12 4671/4885

“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.