SCHEMBL2819090

SCHEMBL2819090

COC(=O)c1ccc2c(c1)[C@H](N(c1ccccc1Cl)S(C)(=O)=O)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
WDR5 P61964 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL2816510 0.89 MEN1 (0.40) TAS1R3TAS1R1KMT2AMEN1ALDH1A1
SCHEMBL28805810 0.84 CYP1A2 (0.39) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL485400 0.80 HTR2A (0.45) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL803190 0.78 HPGD (0.46) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL13131593 0.78 HPGD (0.46) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL803189 0.78 TRPM8 (0.43) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL13131594 0.76 WDR5 (0.41) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL13131173 0.76 ACHE (0.56) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL803508 0.76 WDR5 (0.41) TAS1R3TAS1R1KMT2AMEN1MAPT
SCHEMBL803219 0.76 WDR5 (0.41) TAS1R3TAS1R1TSHRPOLBWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885KMT2A 2136/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN TAS1R3 339/4885TAS1R1 107/4885KMT2A 2136/4885

“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.