SCHEMBL3223857

SCHEMBL3223857

CC[C@H]1CN1S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
RAPGEF4 Q8WZA2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EBP Q15125 5/20 0.42
DHCR7 Q9UBM7 5/20 0.42
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL3223858 1.00 NPSR1 (0.46) NPSR1KMT2AMEN1MAPK1RAPGEF4
SCHEMBL4108812 0.79 NPSR1 (0.51) NPSR1KMT2AMEN1MAPK1RAPGEF4
SCHEMBL4001419 0.79 NPSR1 (0.51) NPSR1KMT2AMEN1MAPK1RAPGEF4
SCHEMBL12574213 0.75 ALDH1A1 (0.50) NPSR1KMT2AALDH1A1
SCHEMBL6845966 0.75 ALDH1A1 (0.50) NPSR1KMT2AALDH1A1
SCHEMBL6845965 0.75 ALDH1A1 (0.50) NPSR1KMT2AALDH1A1
SCHEMBL3215402 0.72 GAA (0.45) NPSR1KMT2AMEN1MAPK1RAPGEF4
SCHEMBL4399065 0.70 EBP (0.49) NPSR1KMT2AALDH1A1GAAEBP
SCHEMBL6642037 0.69 L3MBTL1 (0.61) NPSR1KMT2AALDH1A1GAA
SCHEMBL6642041 0.69 L3MBTL1 (0.61) NPSR1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 US disclosed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 US disclosed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 US disclosed
EP-2136634-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO disclosed
WO-2008124665-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed
WO-2008124665-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 (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-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof NR3C1, MC2R, NR3C2 NPSR1 198/4885KMT2A 4081/4885MEN1 1017/4885
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 NPSR1 181/4885KMT2A 4414/4885MEN1 1018/4885

“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.