SCHEMBL20150121

SCHEMBL20150121

CC(C)c1ccc(C2CCC2)cc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
TYK2 P29597 9/20 0.37
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ACMSD Q8TDX5 1/20 0.33
HSD11B1 P28845 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL20091681 0.94 SLC9A1 (0.44) SLC9A1SLC9A2TYK2CNR2ALDH1A1
SCHEMBL23638031 0.88 TYK2 (0.36) SLC9A1SLC9A2TYK2ALDH1A1ACMSD
SCHEMBL20092549 0.79 TYK2 (0.41) TYK2ALDH1A1
SCHEMBL20093001 0.78 TYK2 (0.38) TYK2ACMSDDRD2DRD3
SCHEMBL20073679 0.77 TYK2 (0.36) TYK2ALDH1A1HPGD
SCHEMBL20073681 0.76 DRD2 (0.39) TYK2ACMSDDRD2DRD3
SCHEMBL27672300 0.75 LMNA (0.36) ALDH1A1ACMSD
SCHEMBL20155988 0.73 HSD11B1 (0.32) SLC9A1SLC9A2HSD11B1
SCHEMBL20073696 0.71 QDPR (0.44) ALDH1A1
SCHEMBL13544340 0.71 ACMSD (0.56) TYK2ALDH1A1ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323036-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-06-18 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (3 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-10323036-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 SLC9A1 4806/4885SLC9A2 4741/4885TYK2 1/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SLC9A1 4806/4885SLC9A2 4741/4885TYK2 1/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 SLC9A1 4806/4885SLC9A2 4741/4885TYK2 1/4885

“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.