SCHEMBL18124674

SCHEMBL18124674

CCC[C@H](C(=O)NCC(C)(C)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 3/20 0.42
CA14 Q9ULX7 3/20 0.42
FPR2 P25090 1/20 0.37
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
PIK3CD O00329 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL18124638 1.00 CA1 (0.42) CA1CA2CA7CA14FPR2
SCHEMBL18124669 1.00 CA1 (0.42) CA1CA2CA7CA14FPR2
SCHEMBL21370388 0.83 MEN1 (0.36) CA1CA2CA7CA14
SCHEMBL18125097 0.81 MAPK1 (0.45) CA1CA2CA7CA14FPR2
SCHEMBL18125083 0.81 MAPK1 (0.45) CA1CA2CA7CA14FPR2
SCHEMBL18125095 0.81 MAPK1 (0.45) CA1CA2CA7CA14FPR2
SCHEMBL7601794 0.81 CA1 (0.43) CA1CA2CA7CA14ECE1
SCHEMBL13461384 0.79 CA1 (0.47) CA1CA2CA7CA14HDAC7
SCHEMBL18923186 0.76 CA2 (0.47) CA1CA2CA7CA14CNR1
SCHEMBL18664268 0.76 CA2 (0.47) CA1CA2CA7CA14CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321265-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 EP disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
WO-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 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 (3 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 CA1 4871/4885CA2 4092/4885CA7 4833/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 CA1 4871/4885CA2 4092/4885CA7 4833/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 CA1 4883/4885CA2 4607/4885CA7 4629/4885

“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.