SCHEMBL21227557

SCHEMBL21227557

Cc1cc(C)c2c(c1)c(C(=O)OC(C)(C)C)cn2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ EED O75530 1/20 0.31
▸ RBBP4 Q09028 1/20 0.31
▸ SUZ12 Q15022 1/20 0.31
▸ EZH2 Q15910 1/20 0.31
▸ AEBP2 Q6ZN18 1/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MEN1 O00255 2/20 0.31

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
SCHEMBL20689528 0.82 L3MBTL1 (0.35) NPSR1CYP2C19CYP2C9L3MBTL1HTR6
SCHEMBL20689530 0.74 USP30 (0.33) NPSR1CYP2C19CYP2C9L3MBTL1
SCHEMBL25866682 0.74 KMT2A (0.49) MAPTL3MBTL1ALDH1A1LMNAPOLB
SCHEMBL31195162 0.71 ACLY (0.40) NPSR1CYP2C19CYP2C9L3MBTL1HTR6
SCHEMBL9166140 0.70 CYP2C9 (0.43) NPSR1CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL13548419 0.70 CYP2C9 (0.46) NPSR1CYP2C19CYP2C9MAPTL3MBTL1
SCHEMBL15059343 0.69 KRAS (0.48) L3MBTL1HTR6LMNAKMT2AMEN1
SCHEMBL27397888 0.68 CYP2C9 (0.44) NPSR1CYP2C19CYP2C9MAPTL3MBTL1
SCHEMBL14164202 0.68 BUB1 (0.40) NPSR1CYP2C19MAPTL3MBTL1HTR6
SCHEMBL19445998 0.68 BUB1 (0.42) NPSR1CYP2C19L3MBTL1HTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241575-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 (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-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 NPSR1 4287/4885CYP2C19 3767/4885CYP2C9 4115/4885

“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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