SCHEMBL4977210

SCHEMBL4977210

CC(C)(C)N(NS(=O)(=O)C1(Cc2ccccn2)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 4/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCR3 P49682 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 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
SCHEMBL4977212 0.74 L3MBTL1 (0.38) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL8354875 0.70 MCL1 (0.37) ALDH1A1KDM4EPOLBLMNATDP1
SCHEMBL6051004 0.70 MEN1 (0.44) ALDH1A1KDM4EGAAPOLBNPC1
SCHEMBL4980808 0.69 HRH1 (0.42) LMNATDP1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL4977208 0.67 ALDH1A1 (0.37) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL22366419 0.65 CYP1A2 (0.49) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL31446462 0.64 PTPRA (0.47) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL25401556 0.64 OPRM1 (0.39) ALDH1A1KDM4EGAAPOLBLMNA
SCHEMBL27053798 0.63 POLB (0.41) ALDH1A1KDM4EPOLBNPC1RAB9A
SCHEMBL17031761 0.63 HRH3 (0.41) ALDH1A1GAALMNATDP1NPC1

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
EP-1505945-B1 SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-11-05 EP disclosed
US-6878722-B2 Substituted cycloalkyl P1′ hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-12 US disclosed
US-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 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-20040077551-A1 Substituted cycloalkyl P1' hepatitis C virus inhibitors HAVCR2, ANPEP, ENPEP ALDH1A1 2672/4885KDM4E 4299/4885GAA 1831/4885

“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.