SCHEMBL1952124

SCHEMBL1952124

C[C@@H](O)[C@@H](NC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.50
NFE2L2 Q16236 4/20 0.50
GPR88 Q9GZN0 1/20 0.48
HDAC1 Q13547 1/20 0.47
PHGDH O43175 2/20 0.47
LMNA P02545 5/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13380235 1.00 KEAP1 (0.50) KEAP1NFE2L2GPR88HDAC1PHGDH
SCHEMBL16965686 1.00 KEAP1 (0.50) KEAP1NFE2L2GPR88HDAC1PHGDH
SCHEMBL18766237 1.00 KEAP1 (0.50) KEAP1NFE2L2GPR88HDAC1PHGDH
SCHEMBL24015864 0.86 MTNR1A (0.49) KEAP1NFE2L2GPR88HDAC1PHGDH
SCHEMBL24015849 0.86 MTNR1A (0.49) KEAP1NFE2L2GPR88HDAC1PHGDH
SCHEMBL30819117 0.86 MTNR1A (0.49) KEAP1NFE2L2GPR88HDAC1PHGDH
SCHEMBL11214430 0.86 HDAC1 (0.62) KEAP1NFE2L2HDAC1LMNAALDH1A1
SCHEMBL28707494 0.85 LMNA (0.52) KEAP1NFE2L2HDAC1LMNAALDH1A1
SCHEMBL16847210 0.85 LMNA (0.53) KEAP1NFE2L2GPR88HDAC1PHGDH
SCHEMBL17076029 0.85 LMNA (0.53) KEAP1NFE2L2GPR88HDAC1PHGDH

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
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 US disclosed
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 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
EP-2598486-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS Novartis AG (CH) 2013-06-05 EP disclosed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
EP-2507210-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Novartis AG (CH) 2012-10-10 EP disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 WO disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 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 KEAP1 187/4885NFE2L2 1324/4885GPR88 2506/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 KEAP1 812/4885NFE2L2 1663/4885GPR88 647/4885

“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.