SCHEMBL2901883

SCHEMBL2901883

CC(C)(C(=O)Nc1nc2ccccc2s1)C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.56
SCD O00767 3/20 0.53
NCS1 P62166 1/20 0.51
NR3C1 P04150 6/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
DYRK1A Q13627 3/20 0.49
ADORA1 P30542 1/20 0.49
PGR P06401 1/20 0.48
AR P10275 1/20 0.48
ACP1 P24666 1/20 0.48
PTPN7 P35236 1/20 0.48
PTPN12 Q05209 1/20 0.48
PTPN13 Q12923 1/20 0.48
SSU72 Q9NP77 1/20 0.48

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
SCHEMBL2901429 0.91 CSNK1D (0.66) CSNK1DSCDNCS1NR3C1NPC1
SCHEMBL2900064 0.88 ACP1 (0.53) CSNK1DNR3C1NPC1RAB9ASMN1; SMN2
SCHEMBL2899388 0.88 NR3C1 (0.62) CSNK1DSCDNCS1NR3C1NPC1
SCHEMBL2893952 0.87 RAB9A (0.59) CSNK1DSCDNCS1NR3C1NPC1
SCHEMBL2895551 0.85 NR3C1 (0.58) CSNK1DSCDNCS1NR3C1NPC1
SCHEMBL2900354 0.85 NR3C1 (0.64) CSNK1DSCDNCS1NR3C1NPC1
SCHEMBL2899746 0.84 NPC1 (0.51) NR3C1NPC1RAB9APGRAR
SCHEMBL2899832 0.83 CSNK1D (0.56) CSNK1DSCDNCS1NR3C1NPC1
SCHEMBL2900198 0.83 NPC1 (0.63) CSNK1DSCDNR3C1NPC1RAB9A
SCHEMBL2896627 0.81 LRRK2 (0.61) CSNK1DNR3C1NPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA CSNK1D 252/4885SCD 538/4885NCS1 2840/4885

“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.