SCHEMBL9103530

SCHEMBL9103530

CC(C)CC(C(=O)O)N1C(=O)Cc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
BACE1 P56817 1/20 0.37
CHRM5 P08912 8/20 0.37
ACACB O00763 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGM2 P21980 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
SCHEMBL9103481 0.86 NOTUM (0.40) MCL1MAPTSMN1; SMN2
SCHEMBL9102246 0.82 KDM4E (0.39) FFAR4PDK1PDK2PDK3PDK4
SCHEMBL9908088 0.81 SCD (0.42) MAPTSMN1; SMN2
SCHEMBL9107671 0.81 RAB9A (0.38) CHRM5
SCHEMBL9104477 0.81 CHRM5 (0.50) CHRM5
SCHEMBL9104224 0.81 GCK (0.53)
SCHEMBL9108208 0.81 RAB9A (0.37) CHRM5SMN1; SMN2
SCHEMBL9908089 0.81 RAB9A (0.37) CHRM5SMN1; SMN2
SCHEMBL9108017 0.80 PDE5A (0.49) MCL1SMN1; SMN2
SCHEMBL9108805 0.79 P2RX3 (0.43) MCL1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US claimed
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT MCL1 3695/4885FFAR4 1566/4885BACE1 2308/4885

“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.