SCHEMBL255681

SCHEMBL255681

CC(=O)NC(C)(C)c1ccc(I)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.48
TRPV1 Q8NER1 2/20 0.39
TPMT P51580 1/20 0.35
SSTR4 P31391 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HDAC1 Q13547 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL27254652 0.89 ACACB (0.54) ACACBSSTR4HDAC1TSHRSMN1; SMN2
SCHEMBL2884007 0.84 TPMT (0.40) ACACBTRPV1TPMTSSTR4CA1
SCHEMBL8351698 0.82 ACACB (0.49) ACACBHDAC1TSHRSMN1; SMN2GAA
SCHEMBL15118619 0.82 ACACB (0.49) ACACBCA1CA2TSHRGAA
SCHEMBL13626314 0.80 MEN1 (0.49) ACACBSSTR4HDAC1SMN1; SMN2
SCHEMBL165889 0.80 ACACB (0.48) ACACBHDAC1SMN1; SMN2GAA
SCHEMBL1851604 0.80 PDE2A (0.48) ACACBTRPV1HDAC1
SCHEMBL5987647 0.80 ACACB (0.48) ACACBHDAC1TSHRSMN1; SMN2
SCHEMBL2815438 0.80 ACACB (0.48) ACACBTSHRSMN1; SMN2
SCHEMBL8390808 0.80 POLB (0.50) ACACBTRPV1SSTR4TSHRSMN1; SMN2

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-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885TRPV1 862/4885TPMT 82/4885

“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.