SCHEMBL7081753

SCHEMBL7081753

N#Cc1cccc(NC2(C(=O)O)CCS(=O)(=O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
HIF1A Q16665 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 3/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
MCHR1 Q99705 1/20 0.47
GRIN2B Q13224 1/20 0.47
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6989644 0.89 ALDH1A1 (0.51) LMNAALDH1A1KMT2AMAPTHIF1A
SCHEMBL6991463 0.88 TSHR (0.51) LMNAALDH1A1KMT2AMAPTHIF1A
SCHEMBL7083930 0.83 ALDH1A1 (0.51) LMNAALDH1A1KMT2AMAPTHIF1A
SCHEMBL7076644 0.83 HIF1A (0.48) LMNAALDH1A1KMT2AMAPTHIF1A
SCHEMBL7078089 0.78 USP2 (0.44) LMNAALDH1A1HIF1AMAPK1SMN1; SMN2
SCHEMBL7079085 0.74 NAMPT (0.43) ALDH1A1KMT2AMAPTHIF1AMEN1
SCHEMBL28262351 0.74 MAPT (0.56) LMNAALDH1A1KMT2AMAPTHIF1A
SCHEMBL7082012 0.74 CYP2D6 (0.59) ALDH1A1HIF1AMAPK1HSD17B10SMN1; SMN2
SCHEMBL4901069 0.74 MAPT (0.68) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL12835295 0.73 KMT2A (0.67) LMNAALDH1A1KMT2AMAPTMEN1

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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 LMNA 1562/4885ALDH1A1 1315/4885KMT2A 2153/4885

“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.