SCHEMBL17860467

SCHEMBL17860467

CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCCC3)CC[C@@H]21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 3/20 0.68
PLCG1 P19174 4/20 0.56
PLCB3 Q01970 4/20 0.56
CASP6 P55212 1/20 0.55
ACKR3 P25106 3/20 0.45
BACE1 P56817 7/20 0.40
BACE2 Q9Y5Z0 6/20 0.40
APP P05067 1/20 0.38

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
SCHEMBL17860519 0.92 PAX8 (0.60) PAX8PLCG1PLCB3CASP6ACKR3
SCHEMBL17860409 0.91 PAX8 (0.75) PAX8PLCG1PLCB3CASP6ACKR3
SCHEMBL17860520 0.88 PLCG1 (0.55) PAX8PLCG1PLCB3CASP6BACE1
SCHEMBL17860435 0.85 PAX8 (0.67) PAX8PLCG1PLCB3CASP6
SCHEMBL17860468 0.83 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL16984262 0.83 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL16980367 0.83 PAX8 (0.65) PAX8PLCG1PLCB3CASP6
SCHEMBL17860436 0.81 PLCG1 (0.66) PAX8PLCG1PLCB3CASP6
SCHEMBL17860300 0.81 PAX8 (0.60) PAX8PLCG1PLCB3CASP6
SCHEMBL17860327 0.80 CASP6 (0.73) PAX8PLCG1PLCB3CASP6

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
WO-2016100711-A1 MODULATORS OF HEPATIC LIPOPROTEIN METABOLISM THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed
US-20150166601-A1 DEUTERATED CARFILZOMIB CONCERT PHARMACEUTICALS INC. (US) 2015-06-18 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-20150166601-A1 DEUTERATED CARFILZOMIB BCL9, DOT1L, U2AF1 PAX8 1090/4885PLCG1 3826/4885PLCB3 3559/4885

“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.