SCHEMBL21963832

SCHEMBL21963832

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 2/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL24209014 0.88 GPR119 (0.40) ALDH1A1TSHRLMNAGAAGPR119
SCHEMBL22015110 0.88 ALDH1A1 (0.36) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL22015798 0.86 ALDH1A1 (0.35) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL22015101 0.86 ALDH1A1 (0.35) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL24208970 0.86 ALDH1A1 (0.35) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL22015096 0.86 ALDH1A1 (0.35) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL21963761 0.83 ALDH1A1 (0.37) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL21963853 0.78 ALDH1A1 (0.43) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL28922630 0.75 MAPT (0.33) ALDH1A1TSHRLMNAGAAKMT2A
SCHEMBL22015111 0.73 ALDH1A1 (0.38) ALDH1A1TSHRLMNAGAAKMT2A

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 3 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
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP 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 3440/4885LMNA 455/4885

“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.