SCHEMBL22001985

SCHEMBL22001985

CCOC(=O)Cn1nc(C(F)F)c2c1C(F)(F)[C@@H]1C2[C@@H]1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP2C19 P33261 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL22681237 0.85 GAA (0.32) ALDH1A1GAA
SCHEMBL24169552 0.85 GAA (0.32) ALDH1A1GAA
SCHEMBL23793983 0.85 GAA (0.32) ALDH1A1GAA
SCHEMBL24088686 0.85 GAA (0.32) ALDH1A1GAA
SCHEMBL19890884 0.84 MAPK1 (0.36) MAPK1POLBHSD17B10CYP2C19PKM
SCHEMBL21420082 0.82 MAPK1 (0.35) MAPK1POLBHSD17B10CYP2C19TSHR
SCHEMBL21420081 0.82 MAPK1 (0.35) MAPK1POLBHSD17B10CYP2C19TSHR
SCHEMBL21695112 0.81 POLB (0.36) MAPK1POLBHSD17B10CYP2C19PKM
SCHEMBL19875674 0.80 MAPK1 (0.35) MAPK1POLBHSD17B10CYP2C19PKM
SCHEMBL21643202 0.80 MAPK1 (0.35) MAPK1POLBHSD17B10CYP2C19PKM

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-10654827-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-05-19 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-10654827-B2 Therapeutic compounds HAVCR2, MAVS, EIF2AK2 MAPK1 3679/4885POLB 254/4885HSD17B10 1220/4885

“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.