SCHEMBL22380429

SCHEMBL22380429

CC(C)(C)OC(=O)NC1(CO)CCC(F)(F)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.35
APLNR P35414 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
PPIA P62937 1/20 0.32
P2RX7 Q99572 1/20 0.32
CA12 O43570 3/20 0.32
CA14 Q9ULX7 3/20 0.32
TSHR P16473 1/20 0.31
FSHR P23945 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CYP2D6 P10635 1/20 0.31
CTSK P43235 1/20 0.30

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
SCHEMBL6887591 0.89 APLNR (0.37) CTSLAPLNRTDP1CA1CA2
SCHEMBL56916 0.85 TDP1 (0.41) CTSLAPLNRTDP1CA1CA2
SCHEMBL10799485 0.80 TDP1 (0.40) CTSLAPLNRTDP1CA1CA2
SCHEMBL1368840 0.79 P2RX7 (0.40) CTSLAPLNRTDP1CA1CA2
SCHEMBL5521873 0.79 P2RX7 (0.42) CTSLAPLNRTDP1CA1CA2
SCHEMBL30365335 0.78 APLNR (0.36) CTSLAPLNRTDP1CA1CA2
SCHEMBL941564 0.78 P2RX7 (0.44) CTSLAPLNRTDP1CA1CA2
SCHEMBL12975362 0.78 P2RX7 (0.44) CTSLAPLNRTDP1CA1CA2
SCHEMBL7609264 0.77 MEN1 (0.37) CTSLAPLNRTDP1CA1CA2
SCHEMBL22633505 0.77 CA12 (0.36) CTSLAPLNRTDP1CA1CA2

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-20200268730-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-08-27 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-20200268730-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 CTSL 1754/4885APLNR 625/4885TDP1 4673/4885

“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.