SCHEMBL14302273

SCHEMBL14302273

C=C[C@@H]1C[C@]1(CC)C(=O)NS(=O)(=O)c1cc(C(=O)OC)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ STS P08842 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL14278020 0.85 ALPL (0.44) ALPLLMNAHPGDTSHRNPSR1
SCHEMBL14364367 0.83 ALPL (0.43) ALPLLMNAHPGDTSHRNPSR1
SCHEMBL14278311 0.82 NPSR1 (0.44) ALPLLMNAHPGDTSHRNPSR1
SCHEMBL14302082 0.74 METAP2 (0.34) LMNATSHRCYP2C9GAAALDH1A1
SCHEMBL14302279 0.73 HTR6 (0.35) —
SCHEMBL8065970 0.69 ALPL (0.60) ALPLLMNAHPGDNPSR1MAPT
SCHEMBL11888448 0.69 MAPT (0.50) ALPLLMNAHPGDTSHRNPSR1
SCHEMBL14278021 0.68 ALDH1A1 (0.49) LMNATSHRNPSR1MAPTPOLB
SCHEMBL31525284 0.67 ALPL (0.57) ALPLLMNAHPGDNPSR1MAPT
SCHEMBL14364357 0.67 ALDH1A1 (0.48) LMNATSHRNPSR1MAPTPOLB

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-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ALPL 747/4885LMNA 1174/4885HPGD 792/4885

“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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