SCHEMBL22648282

SCHEMBL22648282

CC(C)Nc1ccc(NC(C)S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CYP3A4 P08684 3/20 0.54
ALOX15 P16050 3/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.54
THRB P10828 2/20 0.54
RECQL P46063 2/20 0.54
ALOX12 P18054 2/20 0.54
LMNA P02545 1/20 0.54
ATM Q13315 1/20 0.54
RXFP1 Q9HBX9 1/20 0.44
HIF1A Q16665 2/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH3 Q9ULD8 6/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL39430 0.86 TDP1 (0.72) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL18559184 0.82 MAPT (0.50) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL22648059 0.81 TDP1 (0.54) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL22427774 0.80 MEN1 (0.47) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL22648062 0.79 TDP1 (0.56) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL18268224 0.79 TDP1 (0.56) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL790636 0.79 TDP1 (0.64) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL9934007 0.78 TDP1 (0.81) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15
SCHEMBL20131116 0.77 ALDH1A1 (0.56) TDP1ALDH1A1L3MBTL1THRBRECQL
SCHEMBL7213755 0.76 TDP1 (0.59) TDP1ALDH1A1L3MBTL1CYP3A4ALOX15

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-20200354425-A1 ACYLATED OXYNTOMODULIN PEPTIDE ANALOG DONG-A ST CO., LTD. (KR) 2020-11-12 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-20200354425-A1 ACYLATED OXYNTOMODULIN PEPTIDE ANALOG GLP1R, GIPR, GPR119 TDP1 4419/4885ALDH1A1 3293/4885L3MBTL1 862/4885

“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.