SCHEMBL12439739

SCHEMBL12439739

CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCl)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.53
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
CTSK P43235 2/20 0.49
GAA P10253 2/20 0.47
EPHX1 P07099 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 4/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KCNA3 P22001 1/20 0.42
EPHX2 P34913 1/20 0.42
DRD3 P35462 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41

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
SCHEMBL3702157 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702152 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL10343938 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL1406894 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
Methyl Alcohol SCHEMBL28082230 0.88 BTK (0.59) BTKKDM1AMAOBCTSKGAA
SCHEMBL20893335 0.87 BTK (0.58) BTKKDM1AMAOBCTSKGAA
Bicarbonate SCHEMBL187492 0.86 BTK (0.62) BTKKDM1AMAOBCTSKGAA
SCHEMBL10156278 0.85 EPHX1 (0.57) BTKKDM1AMAOBCTSKGAA
SCHEMBL28019743 0.85 KDM1A (0.58) BTKKDM1AMAOBCTSKGAA
SCHEMBL28616805 0.85 KDM1A (0.58) BTKKDM1AMAOBCTSKGAA

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
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-8884030-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-11-11 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
US-8524764-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-09-03 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 US disclosed
US-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-07-21 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-20110178058-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 BTK 2785/4885KDM1A 1921/4885MAOB 650/4885

“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.