SCHEMBL517055

SCHEMBL517055

Cn1c(-c2ccccc2)cc2cc(S(=O)(=O)NC3CCC(C(=O)N[C@@H](c4ccccc4)C(C)(C)O)CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.41
TYK2 P29597 1/20 0.40
PTGDR Q13258 1/20 0.39
NR1H3 Q13133 2/20 0.39
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
IDH2 P48735 1/20 0.37
REN P00797 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL517056 1.00 NR1H2 (0.41) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL19064569 0.95 NR1H2 (0.43) NR1H2TYK2NR1H3RENALDH1A1
SCHEMBL15640378 0.94 PTGDR (0.45) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL15640379 0.94 PTGDR (0.45) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL15640373 0.93 NR1H2 (0.41) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL15640371 0.93 NR1H2 (0.41) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL15640372 0.93 NR1H2 (0.41) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL15640207 0.87 PTGDR (0.45) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL15640209 0.87 PTGDR (0.45) NR1H2TYK2PTGDRNR1H3POLB
SCHEMBL15640208 0.87 PTGDR (0.45) NR1H2TYK2PTGDRNR1H3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP claimed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US claimed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2598486-B1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2017-06-28 EP disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-8697739-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2014-04-15 US disclosed
CN-103339111-A Bicyclic acetyl-CoA carboxylase inhibitors NOVARTIS AG 2013-10-02 CN disclosed
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 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-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY NR1H2 638/4885TYK2 2956/4885PTGDR 4481/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY NR1H2 638/4885TYK2 2956/4885PTGDR 4481/4885

“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.