SCHEMBL22015101

SCHEMBL22015101

CCOc1ccc(N2CC3CC2CN3C(=O)CS(=O)(=O)CCN)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
AKR1C3 P42330 1/20 0.35
TSHR P16473 1/20 0.34
TP53 P04637 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
TEAD2 Q15562 1/20 0.33

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
SCHEMBL22015798 1.00 ALDH1A1 (0.35) ALDH1A1GAAGPR119AKR1C3TSHR
SCHEMBL24208970 1.00 ALDH1A1 (0.35) ALDH1A1GAAGPR119AKR1C3TSHR
SCHEMBL22015096 1.00 ALDH1A1 (0.35) ALDH1A1GAAGPR119AKR1C3TSHR
SCHEMBL22015110 0.92 ALDH1A1 (0.36) ALDH1A1GAAGPR119AKR1C3TSHR
SCHEMBL21963832 0.86 ALDH1A1 (0.36) ALDH1A1GAAGPR119TSHRTP53
SCHEMBL24209505 0.83 GPR119 (0.36) ALDH1A1GAAGPR119AKR1C3TSHR
SCHEMBL24209297 0.83 GPR119 (0.36) ALDH1A1GAAGPR119AKR1C3TSHR
SCHEMBL24209014 0.82 GPR119 (0.40) ALDH1A1GAAGPR119TSHRRET
SCHEMBL24209033 0.82 ACACB (0.37)
SCHEMBL21963843 0.81 ALDH1A1 (0.35) ALDH1A1GAAGPR119AKR1C3TSHR

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 122/4885GAA 87/4885GPR119 1531/4885

“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.