SCHEMBL20733281

SCHEMBL20733281

CC(CO)NC(=O)C(C)S

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.50
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
PTGS2 P35354 1/20 0.45
CNR1 P21554 4/20 0.39
MME P08473 4/20 0.38
CPA1 P15085 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
KCNK3 O14649 1/20 0.34
THRB P10828 1/20 0.34
CNR2 P34972 1/20 0.34
BLM P54132 1/20 0.34
PAX8 Q06710 1/20 0.31

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
SCHEMBL19736327 1.00 ACE (0.50) ACEMAPTALDH1A1TDP1LMNA
SCHEMBL8459221 0.80 CNR1 (0.41) ALDH1A1TDP1CNR1MMEKCNK3
SCHEMBL10311688 0.80 CNR1 (0.41) ALDH1A1TDP1CNR1MMEKCNK3
SCHEMBL10311692 0.80 CNR1 (0.41) ALDH1A1TDP1CNR1MMEKCNK3
SCHEMBL1582575 0.78 CNR1 (0.40) ALDH1A1TDP1LMNACNR1KCNK3
SCHEMBL9240957 0.76 DPP4 (0.50) ALDH1A1TDP1CNR1KCNK3THRB
SCHEMBL13351173 0.76 DPP4 (0.50) ALDH1A1TDP1CNR1KCNK3THRB
SCHEMBL16481095 0.76 CNR1 (0.39) ALDH1A1TDP1CNR1MMEKCNK3
SCHEMBL9240954 0.76 DPP4 (0.50) ALDH1A1TDP1CNR1KCNK3THRB
SCHEMBL5089424 0.76 ACE (0.46) ACEMAPTALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 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 (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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ACE 2442/4885MAPT 290/4885ALDH1A1 1067/4885

“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.