SCHEMBL7210744

SCHEMBL7210744

CCCCc1ccc(-c2[c]ccc(-c3ccccc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
RARB P10826 9/20 0.45
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
PSMB5 P28074 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 1/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL1368971 0.84 HSD11B1 (0.46) HSD11B1RARBPSMB5EP300KAT2A
SCHEMBL8938017 0.80 ALOX5 (0.41) MEN1ALDH1A1MAPTKMT2AMCL1
SCHEMBL402463 0.80 HSD11B1 (0.68) HSD11B1RARBRARAPSMB5MEN1
SCHEMBL9158283 0.80 HSD11B1 (0.68) HSD11B1RARBRARAPSMB5MEN1
SCHEMBL2722607 0.80 HSD11B1 (0.44) HSD11B1RARBRARAMEN1ALDH1A1
SCHEMBL1370764 0.80 HSD11B1 (0.47) HSD11B1RARBRARAMEN1ALDH1A1
SCHEMBL1936798 0.79 HSD11B1 (0.47) HSD11B1
SCHEMBL1451004 0.79 ALDH1A1 (0.43) MEN1ALDH1A1MAPTKMT2AMCL1
Ethyne SCHEMBL28914485 0.77 HSD11B1 (0.64) HSD11B1RARBRARAPSMB5MEN1
SCHEMBL4949879 0.77 HSD17B10 (0.47) HSD11B1RARBRARARARGMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP disclosed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 HSD11B1 351/4885RARB 2512/4885RARA 3023/4885

“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.