SCHEMBL667096

SCHEMBL667096

CC(C)(C(=O)Nc1nccs1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.65
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
PGR P06401 1/20 0.58
AR P10275 1/20 0.58
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
AURKA O14965 1/20 0.56
PIM1 P11309 1/20 0.56
CDK2 P24941 1/20 0.56
GSK3B P49841 1/20 0.56
MAPT P10636 1/20 0.54
CYP1A2 P05177 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
STAT1 P42224 1/20 0.53
LMNA P02545 3/20 0.52
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SCD O00767 1/20 0.52

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
SCHEMBL2893740 0.86 NR3C1 (0.62) NR3C1KMT2AMEN1PGRAR
SCHEMBL27925069 0.80 MEN1 (0.49) NR3C1KMT2AMEN1PGRAR
SCHEMBL592704 0.79 MEN1 (0.65) NR3C1KMT2AMEN1PGRAR
SCHEMBL2896226 0.79 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL9756407 0.78 KMT2A (0.56) NR3C1KMT2AMEN1PGRAR
SCHEMBL2656574 0.78 MEN1 (0.63) NR3C1KMT2AMEN1PGRAR
SCHEMBL17591077 0.76 MEN1 (0.71) NR3C1KMT2AMEN1PGRAR
SCHEMBL2901028 0.76 NR3C1 (0.75) NR3C1KMT2AMEN1PGRAR
SCHEMBL2656232 0.75 NR3C1 (0.56) NR3C1KMT2AMEN1PGRAR
SCHEMBL752686 0.75 NR3C1 (0.90) NR3C1PGRAR

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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (6 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NR3C1 3159/4885KMT2A 2953/4885MEN1 1785/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR3C1 465/4885KMT2A 4200/4885MEN1 3610/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR3C1 465/4885KMT2A 4200/4885MEN1 3610/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 NR3C1 437/4885KMT2A 3764/4885MEN1 4615/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NR3C1 3159/4885KMT2A 2953/4885MEN1 1785/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR3C1 465/4885KMT2A 4200/4885MEN1 3610/4885

“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.