SCHEMBL2597172

SCHEMBL2597172

CCc1cnc(N2CCC(NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.42
CA2 P00918 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
TSHR P16473 2/20 0.42
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
KLK7 P49862 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SUV39H2 Q9H5I1 1/20 0.38

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
SCHEMBL2597171 1.00 KLK5 (0.44) KLK5CTSSCTSKHDAC4HDAC1
Iodomethane SCHEMBL15022683 0.98 KLK5 (0.43) KLK5CTSSCTSKHDAC4HDAC1
Iodomethane SCHEMBL15022684 0.98 KLK5 (0.43) KLK5CTSSCTSKHDAC4HDAC1
SCHEMBL29894687 0.89 CTSS (0.43) KLK5CTSSCTSKHDAC4HDAC1
SCHEMBL15022923 0.82 CKS1B (0.55) CTSKCKS1BSKP1SKP2L3MBTL1
SCHEMBL789305 0.78 CTSS (0.56) KLK5CTSSCTSKHDAC4HDAC1
SCHEMBL31291788 0.78 HDAC4 (0.63) KLK5CTSSCTSKHDAC4HDAC1
SCHEMBL5218978 0.77 HDAC4 (0.68) KLK5CTSSCTSKHDAC4HDAC1
SCHEMBL6207008 0.77 HDAC4 (0.68) KLK5CTSSCTSKHDAC4HDAC1
SCHEMBL14917828 0.77 TSHR (0.45) KLK5CTSSCTSKHDAC4HDAC1

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
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 US disclosed
EP-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 KLK5 4083/4885CTSS 1177/4885CTSK 2470/4885

“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.