Sugi Predict

Sugi Predict / Compounds / SCHEMBL517082

SCHEMBL517082

SCHEMBL517082

CC(C)(C)c1nnc([C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 8/20 0.46
▸ THRB P10828 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSPD1 P10809 1/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ HSPE1 P61604 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL517081 1.00 VCAM1 (0.46) VCAM1THRBLMNAHTTALDH1A1
SCHEMBL10269830 0.85 MAPK1 (0.41) LMNAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL517109 0.82 LMNA (0.50) VCAM1LMNAHTTMAPTPOLB
SCHEMBL517110 0.82 LMNA (0.50) VCAM1LMNAHTTMAPTPOLB
SCHEMBL516685 0.80 CA1 (0.40) LMNAHTTALDH1A1KDM4EKMT2A
SCHEMBL516684 0.80 CA1 (0.40) LMNAHTTALDH1A1KDM4EKMT2A
SCHEMBL3036711 0.76 VCAM1 (0.61) VCAM1LMNAHTTALDH1A1KDM4E
SCHEMBL3098587 0.76 VCAM1 (0.61) VCAM1LMNAHTTALDH1A1KDM4E
SCHEMBL15792674 0.75 BRD4 (0.38) LMNAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL15792673 0.75 BRD4 (0.38) LMNAHTTALDH1A1MAPTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US disclosed
US-20140171363-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 — — US 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
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — US 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
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — US 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 VCAM1 4210/4885THRB 3231/4885LMNA 2697/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY VCAM1 4210/4885THRB 3231/4885LMNA 2697/4885

“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.