SCHEMBL1449034

SCHEMBL1449034

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)NCC(=O)OC(=O)c1cc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 4/20 0.41
METAP2 P50579 4/20 0.41
METAP1 P53582 4/20 0.41
POLB P06746 1/20 0.38
REN P00797 1/20 0.37
NPC1 O15118 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1449065 0.83 AAK1 (0.37) CTSSRAB9AMETAP2METAP1POLB
SCHEMBL1449614 0.83 TDP1 (0.52) CTSSLMNARAB9AMETAP2METAP1
SCHEMBL266063 0.83 CTSS (0.43) CTSLCTSSCTSKPOLBMEN1
SCHEMBL1449686 0.79 SMN1; SMN2 (0.45) KDM4ERAB9AMETAP2METAP1POLB
SCHEMBL1449532 0.77 AAK1 (0.35) CTSLCTSSCTSKMETAP2METAP1
SCHEMBL1449052 0.76 ALDH1A1 (0.44) METAP2METAP1POLBMEN1KMT2A
SCHEMBL1449086 0.75 SLC6A2 (0.41) CTSLCTSSCTSKKDM4ELMNA
SCHEMBL1449009 0.74 CIT (0.35) METAP2METAP1
SCHEMBL2492378 0.74 CTSS (0.37) CTSLCTSSCTSKKDM4EPOLB
SCHEMBL12742970 0.71 CTSS (0.59) CTSLCTSSCTSKKDM4ERAB9A

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
US-7910556-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2011-03-22 US disclosed
US-20090131330-A1 PAR-2 AGONIST KOWA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1845104-A1 PAR-2 AGONIST Kowa Company. Ltd. (JP) 2007-10-17 EP 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-20090131330-A1 PAR-2 AGONIST F2RL1, CNR2, FFAR2 CTSL 2762/4885CTSS 3122/4885CTSK 4032/4885

“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.