SCHEMBL22014818

SCHEMBL22014818

CC(C(=O)N1C[C@@]2(C)CN(c3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)C[C@@]2(C)C1)S(=O)(=O)CCN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
RORC P51449 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL22014828 0.89 GAA (0.40) GAAPOLBKDM4EMAPTMEN1
SCHEMBL24209155 0.88 ALDH1A1 (0.39) POLBMAPTKMT2AALDH1A1RORC
SCHEMBL24209122 0.86 KDM4E (0.38) KDM4EMEN1KMT2AALDH1A1RORC
SCHEMBL24209508 0.81 GAA (0.42) GAAPOLBKDM4EMAPTMEN1
SCHEMBL24208966 0.80 GAA (0.41) GAAPOLBKDM4EMAPTMEN1
SCHEMBL23701474 0.78 MAPT (0.50) GAAPOLBKDM4EMAPTMEN1
SCHEMBL24208975 0.77 ALDH1A1 (0.45) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL24208969 0.76 POLB (0.48) GAAPOLBMAPTMEN1KMT2A
SCHEMBL23701395 0.74 GAA (0.50) GAAPOLBKDM4EMAPTMEN1
SCHEMBL23701397 0.74 GAA (0.50) GAAPOLBKDM4EMAPTMEN1

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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 GAA 87/4885POLB 2119/4885KDM4E 849/4885

“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.