Sugi Predict

Sugi Predict / Compounds / SCHEMBL517554

SCHEMBL517554

SCHEMBL517554

C[C@@H](NC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ POLB P06746 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ RCE1 Q9Y256 1/20 0.47
▸ GPR55 Q9Y2T6 1/20 0.47
▸ SLC25A1 P53007 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ VCAM1 P19320 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL517555 1.00 ALDH1A1 (0.56) ALDH1A1POLBTP53LMNANPSR1
SCHEMBL517131 0.91 ALDH1A1 (0.47) ALDH1A1POLBTP53LMNANPSR1
SCHEMBL517132 0.91 ALDH1A1 (0.47) ALDH1A1POLBTP53LMNANPSR1
SCHEMBL516949 0.89 ALDH1A1 (0.50) ALDH1A1POLBTP53RECQLSMN1; SMN2
SCHEMBL516948 0.89 ALDH1A1 (0.50) ALDH1A1POLBTP53RECQLSMN1; SMN2
SCHEMBL12577584 0.85 ALDH1A1 (0.45) ALDH1A1POLBTP53LMNARECQL
SCHEMBL12550357 0.83 ALDH1A1 (0.44) ALDH1A1POLBTP53LMNANPSR1
SCHEMBL10271384 0.83 IDH2 (0.50) ALDH1A1POLBTP53LMNAMAPT
SCHEMBL12549754 0.82 ALDH1A1 (0.56) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL1908602 0.82 MAPT (0.47) ALDH1A1POLBTP53LMNAMAPT

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
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
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 ALDH1A1 215/4885POLB 1792/4885TP53 3890/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY ALDH1A1 215/4885POLB 1792/4885TP53 3890/4885

“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.