SCHEMBL24927595

SCHEMBL24927595

CCCCNCC(=O)NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
TSHR P16473 1/20 0.44
CNR2 P34972 11/20 0.41
DPP4 P27487 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL18716626 0.88 GAA (0.39) GAACNR2DPP4HDAC2NPC1
SCHEMBL8248084 0.84 KDM4E (0.41) GAACNR2DPP4HDAC2NPC1
SCHEMBL8248045 0.79 ALDH1A1 (0.38) GAATSHRHDAC2NPC1ALDH1A1
SCHEMBL9965485 0.79 SMN1; SMN2 (0.39) GAADPP4HDAC2NPC1ALDH1A1
SCHEMBL18743854 0.78 POLB (0.37) GAATSHRHDAC2NPC1ALDH1A1
SCHEMBL24927033 0.78 DPP4 (0.44) GAADPP4HDAC2NPC1ALDH1A1
SCHEMBL5313764 0.77 GAA (0.58) GAATSHRDPP4HDAC1HDAC2
SCHEMBL24927603 0.76 TSHR (0.44) GAATSHRMEN1KMT2AALDH1A1
SCHEMBL28007107 0.75 GAA (0.56) GAATSHRDPP4HDAC1HDAC2
SCHEMBL28528638 0.75 GAA (0.56) GAATSHRDPP4HDAC1HDAC2

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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 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-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 GAA 1390/4885TSHR 1458/4885CNR2 4800/4885

“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.