SCHEMBL16818

SCHEMBL16818

CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.62
CTSK P43235 5/20 0.62
ATM Q13315 2/20 0.54
ALDH1A1 P00352 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
JAK2 O60674 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MME P08473 1/20 0.49
MMEL1 Q495T6 1/20 0.49
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
CTSB P07858 3/20 0.47

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
SCHEMBL27475975 1.00 CTSS (0.62) CTSSCTSKATMALDH1A1NPSR1
SCHEMBL10324438 0.88 CTSS (0.61) CTSSCTSKATMALDH1A1NPSR1
SCHEMBL2875567 0.88 MME (0.67) CTSSCTSKATMMMEMMEL1
SCHEMBL31758020 0.87 ATM (0.55) CTSSCTSKATMCTSBCTSL
SCHEMBL1519945 0.86 ATM (0.70) CTSSCTSKATMCTSBCTSL
SCHEMBL489489 0.86 ATM (0.70) CTSSCTSKATMCTSBCTSL
SCHEMBL489490 0.86 ATM (0.70) CTSSCTSKATMCTSBCTSL
SCHEMBL28895324 0.86 PIN1 (0.60) CTSSCTSKATMMMELMNA
SCHEMBL742227 0.86 CTSL (0.62) CTSSCTSKATMMMEMMEL1
SCHEMBL742226 0.86 CTSL (0.62) CTSSCTSKATMMMEMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO 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-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 CTSS 3395/4885CTSK 990/4885ATM 3332/4885

“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.