SCHEMBL3321985

SCHEMBL3321985

CC(=O)Nc1ccc(S(=O)(=O)CC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
POLB P06746 3/20 0.65
NPC1 O15118 1/20 0.55
CA9 Q16790 4/20 0.53
CA12 O43570 3/20 0.53
PKM P14618 2/20 0.53
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
HSD11B1 P28845 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
ENPP2 Q13822 1/20 0.46
TP53 P04637 1/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP1 P03956 2/20 0.46

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
SCHEMBL3321222 0.85 HSD11B1 (0.53) ALDH1A1POLBNPC1KMT2AMAPT
SCHEMBL13949543 0.81 ALDH1A1 (0.49) ALDH1A1POLBNPC1CA9CA12
SCHEMBL3323351 0.81 NPC1 (0.51) ALDH1A1POLBNPC1CA9CA12
SCHEMBL3322992 0.80 NPC1 (0.58) ALDH1A1POLBNPC1CA9CA12
SCHEMBL1770092 0.78 HSD11B1 (0.52) ALDH1A1KMT2AHSD11B1KDM4E
SCHEMBL3324612 0.77 ALDH1A1 (0.70) ALDH1A1POLBNPC1CA9CA12
SCHEMBL3323123 0.77 ALDH1A1 (0.53) ALDH1A1POLBNPC1CA9CA12
SCHEMBL3326859 0.76 CNR2 (0.61) ALDH1A1POLBNPC1KMT2AMAPT
SCHEMBL3319841 0.76 GAA (0.57) ALDH1A1POLBNPC1KMT2AHSD11B1
SCHEMBL4069153 0.76 ALDH1A1 (0.68) ALDH1A1POLBNPC1CA9CA12

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 ALDH1A1 437/4885POLB 1708/4885NPC1 1106/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 ALDH1A1 3143/4885POLB 3372/4885NPC1 2474/4885

“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.