SCHEMBL6698958

SCHEMBL6698958

CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.51
CTSD P07339 3/20 0.51
FLT3 P36888 5/20 0.48
RXFP1 Q9HBX9 1/20 0.46
CTSB P07858 9/20 0.46
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK10 P53779 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6698955 0.85 BACE1 (0.50) BACE1CTSDCTSB
SCHEMBL5579626 0.84 FLT3 (0.46) FLT3RXFP1MEN1ALDH1A1RAB9A
SCHEMBL5579615 0.84 FLT3 (0.46) FLT3RXFP1MEN1ALDH1A1RAB9A
SCHEMBL3353021 0.84 BACE1 (0.46) BACE1CTSDCTSB
SCHEMBL13308210 0.84 BACE1 (0.46) BACE1CTSDCTSB
SCHEMBL3353030 0.84 BACE1 (0.46) BACE1CTSDCTSB
SCHEMBL5130125 0.81 FLT3 (0.47) FLT3RXFP1MEN1ALDH1A1RAB9A
SCHEMBL3348573 0.79 BACE1 (0.58) BACE1CTSDCTSB
SCHEMBL5374554 0.78 BACE1 (0.58) BACE1CTSDCTSB
SCHEMBL5379637 0.78 BACE1 (0.61) BACE1CTSDCTSB

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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed

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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 BACE1 1/4885CTSD 249/4885FLT3 4517/4885

“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.