SCHEMBL21245979

SCHEMBL21245979

CC(C)C(=O)N[C@@H]1CCC[C@@]1(C)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
CXCR2 P25025 2/20 0.33
BCHE P06276 1/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
AR P10275 2/20 0.33
NR3C1 P04150 1/20 0.33
CHRM1 P11229 2/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL20688132 1.00 TYK2 (0.33) TYK2JAK2JAK1JAK3CXCR2
SCHEMBL20696898 1.00 TYK2 (0.33) TYK2JAK2JAK1JAK3CXCR2
SCHEMBL25070058 0.95 CHRM1 (0.35) TYK2JAK2JAK1JAK3BCHE
SCHEMBL20696891 0.95 CHRM1 (0.35) TYK2JAK2JAK1JAK3BCHE
SCHEMBL20696886 0.95 CHRM1 (0.35) TYK2JAK2JAK1JAK3BCHE
SCHEMBL20696753 0.95 CHRM1 (0.35) TYK2JAK2JAK1JAK3BCHE
SCHEMBL20687911 0.89 BCHE (0.36) TYK2BCHE
SCHEMBL20696893 0.89 BCHE (0.36) TYK2BCHE
SCHEMBL20696885 0.89 BCHE (0.36) TYK2BCHE
SCHEMBL22252302 0.83 CHRNB4 (0.43) TYK2JAK2JAK1JAK3CXCR2

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-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
WO-2020154474-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-07-30 WO disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 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 (5 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885JAK2 2/4885JAK1 3/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885JAK2 2/4885JAK1 3/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885JAK2 2/4885JAK1 3/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885JAK2 2/4885JAK1 3/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TYK2 1/4885JAK2 2/4885JAK1 3/4885

“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.