SCHEMBL22040926

SCHEMBL22040926

CC(C)c1cccc(OC2CCOCC2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
SYK P43405 1/20 0.42
SOS1 Q07889 3/20 0.40
KRAS P01116 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
EPHX2 P34913 1/20 0.39
EGFR P00533 1/20 0.38
PDE4D Q08499 4/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
TYK2 P29597 1/20 0.35
VEGFA P15692 1/20 0.35
PSEN1 P49768 1/20 0.35

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
SCHEMBL798745 0.84 KAT2B (0.52) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL24499265 0.79 SYK (0.48) KAT2BBAZ2BSYKSOS1EGFR
SCHEMBL12489166 0.77 KAT2B (0.44) KAT2BBAZ2BSYKSOS1SLC6A2
SCHEMBL24498738 0.76 KAT2B (0.43) KAT2BBAZ2BSOS1KRASPDE4D
SCHEMBL12181083 0.73 SLC6A2 (0.53) KAT2BBAZ2BSYKSLC6A2SLC6A4
SCHEMBL22871103 0.72 ADRA2A (0.44) KAT2BBAZ2BSLC6A2SLC6A3EPHX2
SCHEMBL8059443 0.72 KAT2B (0.49) KAT2BBAZ2BSYKSLC6A2SLC6A3
SCHEMBL26508866 0.72 KAT2B (0.46) KAT2BBAZ2BSYK
SCHEMBL24499266 0.71 PDE4D (0.46) SYKSOS1KRASPDE4DPDE4A
SCHEMBL26606691 0.71 SYK (0.44) KAT2BBAZ2BSYKPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 KAT2B 2072/4885BAZ2B 404/4885SYK 39/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 KAT2B 2072/4885BAZ2B 404/4885SYK 39/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 KAT2B 2072/4885BAZ2B 404/4885SYK 39/4885

“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.