SCHEMBL20150174

SCHEMBL20150174

CN(c1cc(C2CCOCC2)ccc1N)S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.46
HTR1D P28221 1/20 0.38
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
CYP19A1 P11511 3/20 0.34
SLC6A9 P48067 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CHRNA7 P36544 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL20093009 0.90 TYK2 (0.42) TYK2CYP19A1ALK
SCHEMBL29686281 0.90 TYK2 (0.42) TYK2CYP19A1ALK
SCHEMBL20073548 0.87 CYP19A1 (0.39) TYK2CYP19A1ALK
SCHEMBL20150204 0.86 CYP19A1 (0.43) TYK2CYP19A1SMN1; SMN2
SCHEMBL20073547 0.85 TYK2 (0.48) TYK2CYP19A1L3MBTL1
SCHEMBL24498494 0.79 HDAC1 (0.35) TYK2
SCHEMBL29686947 0.79 HDAC1 (0.35) TYK2
SCHEMBL20093193 0.78 TYK2 (0.49) TYK2CYP19A1SLC6A9L3MBTL1
SCHEMBL20092137 0.77 TYK2 (0.41) TYK2HTR1DIKBKETBK1SLC6A9
SCHEMBL24498549 0.76 CYP2C9 (0.35) TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 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
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 (4 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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885HTR1D 4076/4885IKBKE 140/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885HTR1D 4076/4885IKBKE 140/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885HTR1D 4076/4885IKBKE 140/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885HTR1D 4076/4885IKBKE 140/4885

“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.