SCHEMBL4433786

SCHEMBL4433786

C[C@]1(C(=O)Nc2nncs2)Cc2ccc(C#N)cc2[C@H]1c1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.49
PGR P06401 3/20 0.49
AR P10275 2/20 0.49
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.36
MME P08473 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4433787 1.00 NR3C1 (0.49) NR3C1PGRARGAASMN1; SMN2
SCHEMBL13607452 1.00 NR3C1 (0.49) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4426529 0.94 NR3C1 (0.47) NR3C1PGRARGAASMN1; SMN2
SCHEMBL13600540 0.94 NR3C1 (0.47) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4437846 0.94 NR3C1 (0.47) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4437840 0.94 NR3C1 (0.47) NR3C1PGRARGAASMN1; SMN2
SCHEMBL13600503 0.94 NR3C1 (0.47) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4426524 0.94 NR3C1 (0.47) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4437790 0.94 NR3C1 (0.52) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4426533 0.94 NR3C1 (0.52) NR3C1PGRARGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US claimed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US claimed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US claimed
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 NR3C1 2/4885PGR 640/4885AR 180/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 NR3C1 2/4885PGR 636/4885AR 168/4885

“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.