SCHEMBL15801255

SCHEMBL15801255

CC(CO)NS(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
ALDH1A1 P00352 5/20 0.49
CA12 O43570 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
TSHR P16473 1/20 0.49
TDO2 P48775 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.45
IKBKB O14920 2/20 0.44
CHUK O15111 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.43

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
SCHEMBL14316552 1.00 NR3C1 (0.51) NR3C1PGRNR3C2ALDH1A1CA12
SCHEMBL14132619 0.86 NR3C1 (0.45) NR3C1PGRNR3C2ALDH1A1CA12
SCHEMBL6324018 0.84 ADAMTS4 (0.53) ALDH1A1CA12CA2CA9TSHR
SCHEMBL4752500 0.84 CA2 (0.68) NR3C1ALDH1A1CA12CA2CA9
SCHEMBL6324016 0.84 ADAMTS4 (0.53) ALDH1A1CA12CA2CA9TSHR
SCHEMBL14132583 0.84 CA2 (0.54) NR3C1PGRNR3C2ALDH1A1CA12
SCHEMBL16519485 0.84 CA2 (0.68) NR3C1ALDH1A1CA12CA2CA9
SCHEMBL16519484 0.84 CA2 (0.68) NR3C1ALDH1A1CA12CA2CA9
SCHEMBL14132608 0.83 CA1 (0.53) NR3C1PGRNR3C2ALDH1A1CA12
SCHEMBL6321461 0.83 MMP2 (0.56) ALDH1A1CA12CA2CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 NR3C1 3435/4885PGR 1102/4885NR3C2 2002/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 NR3C1 3435/4885PGR 1102/4885NR3C2 2002/4885

“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.