SCHEMBL17857663

SCHEMBL17857663

CC(NC(=O)OC(C)(C)C)C(C)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CYP2D6 P10635 1/20 0.45
CTSK P43235 10/20 0.42
CTSS P25774 5/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
KMT2A Q03164 1/20 0.40
APLNR P35414 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL17700922 1.00 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL14738113 1.00 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL12493535 0.88 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL8142343 0.83 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL7922247 0.83 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL254254 0.83 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL31059651 0.81 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544315 0.81 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544316 0.81 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL1369819 0.81 CA1 (0.52) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047115-B Glyoxylamide-substituted pyrrole amide derivatives and their use as medicaments for the treatment of hepatitis B 爱尔兰詹森科学公司 2021-06-29 CN disclosed
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
EP-2997019-B1 SULPHAMOYLTHIOPHENAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-08-08 EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 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-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK CA1 4007/4885CA2 3537/4885CA7 3576/4885

“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.