SCHEMBL22015305

SCHEMBL22015305

CS(=O)(=O)N1CCN(C(=O)CS(=O)(=O)CCN)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 2/20 0.44
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
DPP4 P27487 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 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
SCHEMBL24208950 0.83 CYP1A2 (0.39) ALDH1A1POLBHTTMAPK1TDP1
SCHEMBL22014791 0.80 ALDH1A1 (0.35) ALDH1A1ATMPOLBHTTTDP1
SCHEMBL15808607 0.79 ALDH1A1 (0.54) ALDH1A1TSHRATMPOLBHTT
SCHEMBL22014802 0.77 CA2 (0.37) ALDH1A1POLBDPP4KMT2A
SCHEMBL10052779 0.77 ALDH1A1 (0.56) ALDH1A1TSHRATMPOLBHTT
SCHEMBL24209508 0.76 GAA (0.42) ALDH1A1TSHRPOLBHTTLMNA
Hydrochloric Acid SCHEMBL721903 0.75 ALDH1A1 (0.55) ALDH1A1TSHRATMPOLBHTT
SCHEMBL24209013 0.74 SIGMAR1 (0.41) ALDH1A1TSHRPOLBTP53
SCHEMBL10264089 0.73 ALDH1A1 (0.56) ALDH1A1TSHRATMPOLBHTT
SCHEMBL24208975 0.72 ALDH1A1 (0.45) ALDH1A1TSHRATMPOLBHTT

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 ALDH1A1 122/4885TSHR 3440/4885ATM 2285/4885

“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.