SCHEMBL14278015

SCHEMBL14278015

C=C[C@@H]1C[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1Oc1cccc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 0.41
▸ AKR1C3 P42330 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ GCK P35557 1/20 0.37
▸ MRGPRX1 Q96LB2 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ TBXA2R P21731 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
SCHEMBL14278008 0.91 GCK (0.40) CASP1ALDH1A1GCKMRGPRX1NPC1
SCHEMBL14278003 0.90 CASP1 (0.46) CASP1PKM
SCHEMBL14278006 0.90 CASP1 (0.41) CASP1TBXA2R
SCHEMBL14278009 0.89 TBXA2R (0.44) CASP1MRGPRX1TBXA2R
SCHEMBL14278005 0.89 MEN1 (0.39) CASP1ALDH1A1GCKMRGPRX1F10
SCHEMBL14364351 0.87 CASP1 (0.40) CASP1AKR1C3ALDH1A1GCKMRGPRX1
SCHEMBL14278309 0.79 BCL2L1 (0.48) —
SCHEMBL14364352 0.79 MMP3 (0.39) CASP1GCKMRGPRX1NPC1KAT6A
SCHEMBL14364353 0.77 MEN1 (0.38) CASP1ALDH1A1GCKMRGPRX1F10
SCHEMBL14364342 0.77 CASP1 (0.40) CASP1TBXA2R

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 954/4885AKR1C3 367/4885ALDH1A1 135/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CASP1 954/4885AKR1C3 367/4885ALDH1A1 135/4885

“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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