SCHEMBL1449014

SCHEMBL1449014

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.65
CTSK P43235 4/20 0.65
MMP3 P08254 5/20 0.47
AAK1 Q2M2I8 2/20 0.46
MMP1 P03956 4/20 0.44
MMP2 P08253 4/20 0.44
CAPN1 P07384 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DRD2 P14416 1/20 0.42
AKT1 P31749 1/20 0.41
REN P00797 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
BCHE P06276 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
SCHEMBL1861306 0.83 CTSK (0.69) CTSSCTSKAAK1CAPN1HDAC4
SCHEMBL1861303 0.83 CTSK (0.69) CTSSCTSKAAK1CAPN1HDAC4
SCHEMBL3615254 0.82 CTSS (0.76) CTSSCTSKAAK1CAPN1HDAC4
SCHEMBL3615325 0.82 CTSS (0.76) CTSSCTSKAAK1CAPN1HDAC4
SCHEMBL28982690 0.80 CTSS (0.72) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL28982692 0.80 CTSS (0.72) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL30172531 0.80 CTSS (0.76) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL12632018 0.79 CTSS (0.71) CTSSCTSKAAK1CAPN1HDAC4
SCHEMBL27709443 0.79 CTSS (0.71) CTSSCTSKAAK1CAPN1HDAC4
SCHEMBL267945 0.79 CTSS (0.70) CTSSCTSKAAK1HDAC4HDAC1

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 CTSS 3122/4885CTSK 4032/4885MMP3 1292/4885

“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.