SCHEMBL443417

SCHEMBL443417

CSc1ccc(C(=O)C(C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
PPARG P37231 9/20 0.42
PPARA Q07869 9/20 0.42
PPARD Q03181 2/20 0.42
PLK1 P53350 1/20 0.41
TRPA1 O75762 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL413082 1.00 KMT2A (0.42) KMT2APPARGPPARAPPARDPLK1
SCHEMBL18660861 0.84 PPARG (0.49) KMT2APPARGPPARAPPARDTRPA1
SCHEMBL18660862 0.84 PPARG (0.49) KMT2APPARGPPARAPPARDTRPA1
SCHEMBL27405399 0.84 MIF (0.46) PPARGPPARAPPARDTRPA1KDM4E
SCHEMBL27405397 0.84 MIF (0.46) PPARGPPARAPPARDTRPA1KDM4E
SCHEMBL24298844 0.82 HDAC1 (0.45) PPARGPPARATRPA1KDM4EGLA
SCHEMBL2762834 0.82 TRPA1 (0.52) KMT2APPARGPPARATRPA1KDM4E
SCHEMBL21180491 0.82 TRPA1 (0.48) PPARGPPARAPPARDTRPA1KDM4E
SCHEMBL24298843 0.82 HDAC1 (0.45) PPARGPPARATRPA1KDM4EGLA
SCHEMBL18660710 0.82 ALDH1A1 (0.49) KMT2ATRPA1KDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R KMT2A 3837/4885PPARG 96/4885PPARA 424/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R KMT2A 3913/4885PPARG 98/4885PPARA 414/4885

“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.