SCHEMBL18331705

SCHEMBL18331705

COC(=O)c1cc2cc(C)c(NC(=O)OC(C)(C)C)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.47
▸ NOD2 Q9HC29 4/20 0.47
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ MAPT P10636 6/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ CISD2 Q8N5K1 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL18331706 0.85 NOD1 (0.41) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18331337 0.84 ALOX5 (0.38) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18331914 0.84 NOD1 (0.53) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18332144 0.83 NOD2 (0.56) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18331404 0.82 ALOX5 (0.37) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18331336 0.81 ALOX5 (0.36) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18332251 0.81 ALOX5 (0.36) NOD1NOD2LMNATSHRKDM4E
SCHEMBL10002626 0.80 NOD1 (0.61) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18331912 0.80 NOD1 (0.53) NOD1NOD2LMNATSHRKDM4E
SCHEMBL18331707 0.80 NOD1 (0.53) NOD1NOD2LMNATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 — — US disclosed
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-12-20 — — US disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — 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 (2 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 NOD1 2710/4885NOD2 2986/4885LMNA 4871/4885
US-20180362509-A1 AMINOPYRAZOLE DERIVATIVES SRC, GRK2, GRK3 NOD1 2710/4885NOD2 2986/4885LMNA 4871/4885

“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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