SCHEMBL22004166

SCHEMBL22004166

CC(C)n1c(-c2ccc(OC(F)(F)F)nc2)cc2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACLY P53396 11/20 0.53
F2RL3 Q96RI0 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAP4K4 O95819 1/20 0.33
PSD A5PKW4 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL22004373 0.86 ACLY (0.52) ACLY
SCHEMBL22004165 0.85 ACLY (0.55) ACLYF2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL22004376 0.82 ACLY (0.52) ACLYCYP3A4MAPTTHRB
SCHEMBL22021598 0.82 ACLY (0.53) ACLYF2RL3CYP1A2CYP3A4CYP2D6
SCHEMBL22004330 0.80 ACLY (0.50) ACLYMAPTTHRB
SCHEMBL22004334 0.77 ACLY (0.51) ACLYCYP1A2CYP3A4MAPTTHRB
SCHEMBL22004313 0.77 ACLY (0.47) ACLYCYP1A2CYP3A4MAPTTHRB
SCHEMBL22004326 0.73 ACLY (0.47) ACLYMAPTTHRB
SCHEMBL22004122 0.73 ACLY (0.46) ACLYMAPTTHRB
SCHEMBL22003798 0.71 ACLY (0.44) ACLYMAPTTHRB

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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885F2RL3 4563/4885CYP1A2 2535/4885

“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.