SCHEMBL21948271

SCHEMBL21948271

O[C@H]1COCC[C@@H]1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.43
BCHE P06276 3/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
CHRM1 P11229 1/20 0.39
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
KLK7 P49862 1/20 0.37
KLK5 Q9Y337 1/20 0.37

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
SCHEMBL6671511 0.85 PDE4D (0.46) PDE4DBCHECTSVCTSLCTSB
SCHEMBL9074021 0.85 PDE4D (0.46) PDE4DBCHECTSVCTSLCTSB
SCHEMBL6671515 0.85 PDE4D (0.46) PDE4DBCHECTSVCTSLCTSB
SCHEMBL9074022 0.85 PDE4D (0.46) PDE4DBCHECTSVCTSLCTSB
SCHEMBL6669362 0.85 PDE4D (0.46) PDE4DBCHECTSVCTSLCTSB
SCHEMBL24477872 0.82 CTSV (0.42) PDE4DBCHECTSVCTSLCTSB
SCHEMBL27221150 0.82 CTSV (0.42) PDE4DBCHECTSVCTSLCTSB
SCHEMBL21948277 0.80 PSEN1 (0.48) BCHECTSVCTSLCTSBCTSS
SCHEMBL22527471 0.80 PDE4D (0.46) PDE4DBCHECTSVCTSLCTSB
SCHEMBL21827919 0.80 PDE4D (0.46) PDE4DBCHECTSVCTSLCTSB

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 PDE4D 4496/4885BCHE 4808/4885CTSV 4177/4885

“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.