SCHEMBL3228129

SCHEMBL3228129

CC[C@@H](CNc1ccc(C)cc1C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CYP19A1 P11511 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
NR3C1 P04150 3/20 0.40
NR3C2 P08235 3/20 0.40
PGR P06401 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 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
SCHEMBL3228138 1.00 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1GAAMAPTLMNA
SCHEMBL13493340 0.80 NPY5R (0.50) ALDH1A1MAPTCA1CA2MMP1
SCHEMBL4437810 0.78 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1GAAMAPTCYP19A1
SCHEMBL3222412 0.77 NR3C1 (0.64) NR3C1NR3C2PGR
SCHEMBL16585784 0.77 NPY1R (0.47) SMN1; SMN2ALDH1A1MAPTCA1CA2
SCHEMBL20139557 0.76 CA1 (0.56) SMN1; SMN2ALDH1A1GAALMNACA1
SCHEMBL29933231 0.76 CA1 (0.56) SMN1; SMN2ALDH1A1GAALMNACA1
SCHEMBL968534 0.76 CA1 (0.56) SMN1; SMN2ALDH1A1GAALMNACA1
SCHEMBL968537 0.76 CA1 (0.56) SMN1; SMN2ALDH1A1GAALMNACA1
SCHEMBL20139873 0.73 CA1 (0.47) SMN1; SMN2ALDH1A1MAPTLMNACA1

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-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
US-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
US-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-25 US disclosed
WO-2008124745-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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-20100048950-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 SMN1; SMN2 2466/4885ALDH1A1 4429/4885GAA 3188/4885

“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.