SCHEMBL19940938

SCHEMBL19940938

CCCC(C)(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA7 P43166 2/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 2/20 0.36
CA2 P00918 2/20 0.36
CTSK P43235 4/20 0.36
CTSS P25774 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 2/20 0.34
APLNR P35414 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL19997953 1.00 CA1 (0.41) CA1CA7CA12CA14TDP1
SCHEMBL23508993 0.92 CA1 (0.43) CA1CA7CA12CA14TDP1
SCHEMBL18124759 0.89 TDP1 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL18403066 0.89 TDP1 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL18125237 0.89 TDP1 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL19935593 0.89 TDP1 (0.42) CA1CA7CA12CA14TDP1
SCHEMBL13882039 0.89 CA1 (0.41) CA1CA7CA12CA14TDP1
SCHEMBL55502 0.88 TDP1 (0.46) CA1CA7CA12CA14TDP1
SCHEMBL18124813 0.87 TDP1 (0.41) CA1CA7CA12CA14TDP1
SCHEMBL19520047 0.87 TDP1 (0.41) CA1CA7CA12CA14TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507288-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES INC (US) 2020-08-26 EP disclosed
US-10640499-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2020-05-05 US disclosed
US-20180086755-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018045150-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE DERIVATIES AS TOLL LIKE RECEPTOR MODULATORS GILEAD SCIENCES, INC. (US) 2018-03-08 WO 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-10640499-B2 Toll like receptor modulator compounds TLR8, TLR3, TLR6 CA1 4808/4885CA7 4706/4885CA12 4558/4885
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.