SCHEMBL21078552

SCHEMBL21078552

COC(=O)[C@@H](C)NC(S)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 5/20 0.47
CAPN1 P07384 1/20 0.43
ATM Q13315 1/20 0.43
CTRB1 P17538 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CTSB P07858 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
ALOX15 P16050 1/20 0.42
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KYNU Q16719 1/20 0.41

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
SCHEMBL22692566 0.82 ALDH1A1 (0.58) MAPTL3MBTL1ALDH1A1ATMHPGD
SCHEMBL10825080 0.80 CAPN1 (0.55) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL10706801 0.80 CAPN1 (0.55) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL10706806 0.80 CAPN1 (0.55) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL21445354 0.80 ALDH1A1 (0.55) MAPTL3MBTL1ALDH1A1ATMHPGD
SCHEMBL18430149 0.80 ALDH1A1 (0.55) MAPTL3MBTL1ALDH1A1ATMHPGD
SCHEMBL7363365 0.78 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1ATMHPGD
SCHEMBL7332996 0.78 ALDH1A1 (0.53) MAPTL3MBTL1ALDH1A1ATMHPGD
SCHEMBL10705812 0.78 CTSS (0.51) MAPTL3MBTL1ALDH1A1CAPN1HSD17B10
SCHEMBL10825083 0.78 CTSS (0.51) MAPTL3MBTL1ALDH1A1CAPN1HSD17B10

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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B MAPT 3895/4885L3MBTL1 949/4885ALDH1A1 2186/4885

“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.