SCHEMBL22014802

SCHEMBL22014802

NCCS(=O)(=O)CC(=O)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CHKA P35790 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
DPP4 P27487 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL22014791 0.79 ALDH1A1 (0.35) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL24208950 0.79 CYP1A2 (0.39) ALDH1A1NPC1RAB9APOLBKMT2A
SCHEMBL22015305 0.77 ALDH1A1 (0.47) ALDH1A1DPP4POLBKMT2A
SCHEMBL15440675 0.74 CA2 (0.42) CA2CA12CA1CA9ALDH1A1
SCHEMBL423784 0.74 CA2 (0.45) CA2CA12CA1CA9ALDH1A1
SCHEMBL24209013 0.73 SIGMAR1 (0.41) ALDH1A1SIGMAR1POLBSMN1; SMN2
SCHEMBL3654737 0.73 CA2 (0.48) CA2CA12CA1CA9ALDH1A1
Hydrochloric Acid SCHEMBL14311805 0.71 CA2 (0.46) CA2CA12CA1CA9ALDH1A1
Hydrochloric Acid SCHEMBL14311850 0.71 CA2 (0.46) CA2CA12CA1CA9ALDH1A1
SCHEMBL8672274 0.71 ALDH1A1 (0.37) CA2CA12CA1CA9ALDH1A1

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 CA2 2865/4885CA12 4334/4885CA1 4120/4885

“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.