SCHEMBL379891

SCHEMBL379891

CN(CCc1ccc(C(=O)O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.47
MLYCD O95822 2/20 0.44
ALDH1A1 P00352 2/20 0.42
RARB P10826 6/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
NR4A2 P43354 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MEN1 O00255 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
GBA1 P04062 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL30277846 0.90 ESRRG (0.48) ESRRGMLYCDGBA1HDAC3HDAC1
SCHEMBL29347313 0.89 RARB (0.49) ALDH1A1RARBLPAR1LPAR5MEN1
SCHEMBL3049309 0.87 ESRRG (0.46) ESRRGMLYCDGBA1HDAC3HDAC1
SCHEMBL28989018 0.87 ESRRG (0.52) ESRRGMLYCDALDH1A1GBA1HDAC3
SCHEMBL2791841 0.87 ALDH1A1 (0.43) ALDH1A1RARBLPAR1LPAR5NR4A2
SCHEMBL7458715 0.86 MLYCD (0.50) MLYCDKMT2A
SCHEMBL379954 0.86 CYP4A11 (0.50) ESRRGALDH1A1MAPTHDAC1
SCHEMBL30264506 0.85 LTB4R (0.46) ESRRGMLYCDMAPT
SCHEMBL1243793 0.85 HDAC1 (0.46) ALDH1A1NR4A2RXRARXRBMAPT
SCHEMBL2240309 0.85 PPARA (0.44) ESRRGMLYCDGBA1

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
CN-113454086-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2021-09-28 CN disclosed
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
CN-102439007-A Amide derivatives DAIICHI SANKYO CO LTD 2012-05-02 CN disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 ESRRG 1037/4885MLYCD 1795/4885ALDH1A1 2036/4885

“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.