SCHEMBL1449532

SCHEMBL1449532

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)NCC(=O)OC(=O)c1ccon1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.35
METAP2 P50579 4/20 0.34
METAP1 P53582 4/20 0.34
CIT O14578 2/20 0.34
CTSC P53634 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTSS P25774 3/20 0.31
CTSL P07711 2/20 0.31
CTSK P43235 2/20 0.31
AR P10275 1/20 0.31
F2RL1 P55085 1/20 0.31

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
SCHEMBL1449686 0.83 SMN1; SMN2 (0.45) METAP2METAP1CIT
SCHEMBL266063 0.82 CTSS (0.43) TDP1CTSSCTSLCTSK
SCHEMBL1449009 0.82 CIT (0.35) AAK1METAP2METAP1CIT
SCHEMBL1449614 0.80 TDP1 (0.52) METAP2METAP1TDP1CTSS
SCHEMBL1449052 0.78 ALDH1A1 (0.44) AAK1METAP2METAP1
SCHEMBL1449034 0.77 CTSL (0.47) METAP2METAP1CTSSCTSLCTSK
SCHEMBL1449065 0.76 AAK1 (0.37) AAK1METAP2METAP1TDP1CTSS
SCHEMBL5573504 0.74 METAP2 (0.34) AAK1METAP2METAP1CITCTSC
SCHEMBL2492378 0.72 CTSS (0.37) TDP1CTSSCTSLCTSK
Hydrochloric Acid SCHEMBL266603 0.71 GAA (0.43) METAP2CTSS

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 AAK1 1179/4885METAP2 564/4885METAP1 783/4885

“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.