SCHEMBL12440420

SCHEMBL12440420

CCOC(=O)Cc1csc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GPR119 Q8TDV5 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV3 Q8NET8 1/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
LMNA P02545 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL12440428 0.88 GPR119 (0.47) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL12440418 0.88 GPR119 (0.47) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL1118269 0.85 GPR119 (0.47) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL12003104 0.84 NR1H2 (0.49) ALDH1A1HPGDKDM4EGLARECQL
SCHEMBL28230821 0.82 GPR119 (0.53) KDM4EGPR119TRPV3
SCHEMBL30730320 0.81 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10SMN1; SMN2TDP1
SCHEMBL30926340 0.81 GPR119 (0.56) ALDH1A1KDM4EGPR119TRPV3
SCHEMBL5279488 0.80 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10SMN1; SMN2TDP1
SCHEMBL1118237 0.79 GPR119 (0.52) KDM4EGPR119TRPV3JAK2JAK1
SCHEMBL18764600 0.79 NR1H2 (0.50) ALDH1A1HPGDKDM4EGLARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-07-21 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-7939547-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-10 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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-20070276002-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 ALDH1A1 3792/4885HPGD 922/4885KDM4E 4550/4885
US-20110177055-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 ALDH1A1 3828/4885HPGD 970/4885KDM4E 4546/4885

“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.