SCHEMBL22015809

SCHEMBL22015809

COC(=O)c1cccc(SCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
IDO1 P14902 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
NQO2 P16083 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL445683 0.85 ALDH1A1 (0.48) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL7528860 0.82 MTNR1A (0.62) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL265731 0.80 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AGAAALDH1A1L3MBTL1
SCHEMBL21528087 0.80 IDO1 (0.43) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL613545 0.79 CA12 (0.53) MTNR1AMTNR1BNPC1RAB9ARECQL
SCHEMBL29410763 0.79 CA12 (0.53) MTNR1AMTNR1BNPC1RAB9ARECQL
SCHEMBL30633649 0.79 RAB9A (0.38) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL19487331 0.79 HTT (0.54) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL31539425 0.79 CYP4F2 (0.59) IDO1KMT2ANQO2LOXL2CYP4F2
SCHEMBL2996602 0.79 CYP4F2 (0.59) IDO1KMT2ANQO2LOXL2CYP4F2

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 MTNR1A 1486/4885MTNR1B 1251/4885SMN1; SMN2 3271/4885

“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.