SCHEMBL24209014

SCHEMBL24209014

CCOc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CS(=O)(=O)CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
RET P07949 1/20 0.37
TSHR P16473 1/20 0.36
LIPE Q05469 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.34
HDAC1 Q13547 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
BRD4 O60885 1/20 0.33
MMP13 P45452 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
SCHEMBL21963832 0.88 ALDH1A1 (0.36) GPR119TSHRALDH1A1GAALMNA
SCHEMBL22015110 0.84 ALDH1A1 (0.36) GPR119TSHRALDH1A1GAALMNA
SCHEMBL22015101 0.82 ALDH1A1 (0.35) GPR119RETTSHRALDH1A1GAA
SCHEMBL22015096 0.82 ALDH1A1 (0.35) GPR119RETTSHRALDH1A1GAA
SCHEMBL24208970 0.82 ALDH1A1 (0.35) GPR119RETTSHRALDH1A1GAA
SCHEMBL22015798 0.82 ALDH1A1 (0.35) GPR119RETTSHRALDH1A1GAA
SCHEMBL21963856 0.81 GPR119 (0.36) GPR119CA12CA1CA2CA9
SCHEMBL31235483 0.78 GPR119 (0.53) GPR119RETTSHRALDH1A1GAA
SCHEMBL24209017 0.77 CA12 (0.36) GPR119CA12CA1CA2CA9
SCHEMBL21963853 0.72 ALDH1A1 (0.43) TSHRALDH1A1GAALMNA

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 1 patent. 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

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 GPR119 1531/4885CA12 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.