SCHEMBL14278003

SCHEMBL14278003

C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 16/20 0.46
▸ ICMT O60725 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ MMP16 P51512 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34

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
SCHEMBL14278006 0.91 CASP1 (0.41) CASP1
SCHEMBL14278015 0.90 CASP1 (0.41) CASP1PKM
SCHEMBL14278009 0.90 TBXA2R (0.44) CASP1MMP3
SCHEMBL14278008 0.87 GCK (0.40) CASP1MMP3PKM
SCHEMBL14364334 0.85 CASP1 (0.44) CASP1ICMTMMP2MMP3MMP9
SCHEMBL14278005 0.84 MEN1 (0.39) CASP1
SCHEMBL14278314 0.84 CASP1 (0.46) CASP1ICMT
SCHEMBL14278281 0.82 KMT2A (0.32) CASP1
SCHEMBL14278294 0.81 METAP2 (0.36) GAA
SCHEMBL14135646 0.80 KMT2A (0.46) —

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-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — 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 (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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CASP1 954/4885ICMT 560/4885MMP2 1771/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CASP1 954/4885ICMT 560/4885MMP2 1771/4885

“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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