SCHEMBL21947992

SCHEMBL21947992

C[C@@]1(O)CCCC(n2cccc(N)c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.43
▸ TRPA1 O75762 1/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ DHODH Q02127 2/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ JAK3 P52333 2/20 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
SCHEMBL20697304 0.83 TYK2 (0.40) TYK2DHODH
SCHEMBL20689185 0.83 TYK2 (0.40) TYK2DHODH
SCHEMBL21948036 0.82 TYK2 (0.44) TYK2TMEM97HTR2BDHODH
SCHEMBL21947985 0.82 TYK2 (0.46) TYK2TRPA1
SCHEMBL21947986 0.79 TYK2 (0.46) TYK2TRPA1
SCHEMBL15803819 0.78 IL4I1 (0.39) TYK2TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL16812515 0.78 IL4I1 (0.39) TYK2TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL16794604 0.77 GLA (0.40) TYK2TMEM97HTR2BDHODH
SCHEMBL27354759 0.75 DHODH (0.35) TYK2DHODH
SCHEMBL16794667 0.75 DHODH (0.40) TYK2TMEM97HTR2BDHODH

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 — — US disclosed
WO-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 — — WO 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 (1 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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 TYK2 1/4885TRPA1 4793/4885TMEM97 4130/4885

“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.

Send feedback