SCHEMBL21948034

SCHEMBL21948034

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 13/20 0.48
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ PARP1 P09874 2/20 0.32
▸ PARP2 Q9UGN5 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
SCHEMBL21948033 0.90 TYK2 (0.49) TYK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20689209 0.85 TYK2 (0.43) TYK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20689511 0.85 TYK2 (0.43) TYK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21947985 0.84 TYK2 (0.46) TYK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21948036 0.82 TYK2 (0.44) TYK2CYP3A4CYP2C19DHODH
SCHEMBL22498188 0.78 KDM4E (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL21947986 0.77 TYK2 (0.46) TYK2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30612395 0.77 KDM4E (0.52) TYK2KDM4EALDH1A1GAAHPGD
SCHEMBL20689398 0.76 TYK2 (0.43) TYK2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20697405 0.76 TYK2 (0.43) TYK2CYP3A4CYP2D6CYP2C9CYP2C19

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 1/4885CYP3A4 4404/4885CYP2D6 4112/4885

“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.

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