SCHEMBL3311068

SCHEMBL3311068

CC(C)(C)OC(=O)N1CCc2c(cccc2C(=O)N(C(=O)O)C2Cc3ccccc3C2)C1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.49
MAPK1 P28482 1/20 0.45
SCN9A Q15858 1/20 0.43
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ABHD6 Q9BV23 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
NAMPT P43490 3/20 0.40
USP30 Q70CQ3 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL3307223 0.92 ESR2 (0.43) UCHL1MAPK1ESR2NR1H2DDB1
SCHEMBL3309743 0.88 UCHL1 (0.44) UCHL1MAPK1SCN9AESR2NR1H2
SCHEMBL30647075 0.81 UCHL1 (0.53) UCHL1MAPK1SCN9AESR2NR1H2
SCHEMBL1857142 0.81 UCHL1 (0.53) UCHL1MAPK1SCN9AESR2NR1H2
SCHEMBL3304095 0.80 NR1D1 (0.42) UCHL1MAPK1ESR2NR1H2DDB1
SCHEMBL21807308 0.80 UCHL1 (0.54) UCHL1MAPK1SCN9AESR2NR1H2
SCHEMBL4787883 0.78 NR1H2 (0.54) UCHL1MAPK1SCN9AESR2NR1H2
SCHEMBL10197664 0.77 CARM1 (0.53) UCHL1MAPK1SCN9AESR2NR1H2
SCHEMBL2122847 0.75 MAPK1 (0.50) UCHL1MAPK1SCN9AESR2NR1H2
SCHEMBL12312048 0.75 NR1H2 (0.50) UCHL1MAPK1SCN9AESR2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 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 (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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 UCHL1 4176/4885MAPK1 1056/4885SCN9A 1123/4885

“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.