SCHEMBL22014824

SCHEMBL22014824

NCCS(=O)(=O)C(F)C(=O)N1C[C@@H]2CN(c3ccc(F)cc3)C[C@@H]2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NOTUM Q6P988 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HBB P68871 1/20 0.35
EIF4H Q15056 1/20 0.35
CYP1A2 P05177 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL22014835 0.90 EIF4H (0.36) CHRM1CA12CA1CA2CA9
SCHEMBL24209303 0.87 CYP1A2 (0.39) CHRM1NPC1RAB9ANOTUMSMN1; SMN2
SCHEMBL22015315 0.82
SCHEMBL22014833 0.79 RAB9A (0.40) CHRM1NPC1RAB9ANOTUMSMN1; SMN2
SCHEMBL24209174 0.76 SMN1; SMN2 (0.38) CHRM1RAB9ANOTUMSMN1; SMN2LMNA
SCHEMBL24209125 0.76 SMN1; SMN2 (0.34) CA1CA2SMN1; SMN2LMNAMEN1
SCHEMBL25390551 0.71 NOTUM (0.51) CHRM1CA12CA1CA2CA9
SCHEMBL25389906 0.71 NOTUM (0.51) CHRM1CA12CA1CA2CA9
SCHEMBL17134643 0.71 NOTUM (0.51) CHRM1CA12CA1CA2CA9
SCHEMBL24208957 0.69 AOC2 (0.30)

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 CHRM1 2898/4885CA12 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.