SCHEMBL3323577

SCHEMBL3323577

Cc1ccc([S+]([O-])CC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
LMNA P02545 3/20 0.42
HSD11B1 P28845 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
P2RX7 Q99572 1/20 0.40
HSP90AA1 P07900 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 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
SCHEMBL3322670 0.87 P2RX7 (0.43) LMNAHSD11B1P2RX7HSP90AA1ALDH1A1
SCHEMBL1769893 0.84 CYP17A1 (0.48) HSD11B1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3323123 0.84 ALDH1A1 (0.53) KMT2AP2RX7POLBALDH1A1MAPT
SCHEMBL3322001 0.74 HSD11B1 (0.48) LMNAHSD11B1KMT2AHSP90AA1ALDH1A1
SCHEMBL1770354 0.74 MEN1 (0.42) LMNAHSD11B1MEN1KMT2AALDH1A1
SCHEMBL25197939 0.74 ALDH1A1 (0.44) LMNAHSD11B1HSP90AA1ALDH1A1TSHR
SCHEMBL10349958 0.73 ALDH1A1 (0.42) LMNAHSD11B1MEN1KMT2AHSP90AA1
SCHEMBL1769896 0.73 GRM5 (0.47) RAB9ALMNAHSD11B1MEN1KMT2A
SCHEMBL9456923 0.72 KMT2A (0.41) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL9456919 0.72 KMT2A (0.41) RAB9ALMNAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 RAB9A 2432/4885LMNA 4234/4885HSD11B1 3/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 RAB9A 2176/4885LMNA 4234/4885HSD11B1 73/4885

“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.