SCHEMBL256318

SCHEMBL256318

C[C@H](NC(=O)C1CC1)c1ccc(I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 1.00
HPGD P15428 3/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.62
LMNA P02545 1/20 0.56
ACACA Q13085 1/20 0.52
HTT P42858 1/20 0.51

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
SCHEMBL15022588 0.85 ACACB (0.73) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL15022586 0.85 ACACB (0.73) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL807909 0.83 ACACB (0.71) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL2184973 0.83 POLB (0.88) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL19200906 0.83 ACACB (0.71) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL9966795 0.83 POLB (0.88) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL798361 0.83 POLB (0.88) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL14314483 0.83 RECQL (0.87) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL19884283 0.83 RECQL (0.87) ACACBHPGDGAASMN1; SMN2POLB
SCHEMBL15038846 0.83 RECQL (0.87) ACACBHPGDGAASMN1; SMN2POLB

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 5 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
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 2257/4885HPGD 177/4885GAA 208/4885

“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.