SCHEMBL265370

SCHEMBL265370

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)NCC(=O)N(C(=O)c1ccco1)[C@@H](CCCN1CCCCC1)C(=O)NCCN1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.39
MMP2 P08253 5/20 0.39
MMP3 P08254 5/20 0.39
CCR5 P51681 1/20 0.37
REN P00797 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
Hydrochloric Acid SCHEMBL266228 0.99 MMP1 (0.38) MMP1MMP2MMP3CCR5REN
SCHEMBL1450242 0.96 MMP1 (0.39) MMP1MMP2MMP3CCR5REN
SCHEMBL265605 0.93 CCR5 (0.39) MMP1MMP2MMP3CCR5REN
SCHEMBL1449025 0.90 REN (0.42) MMP1MMP2MMP3CCR5REN
SCHEMBL1449333 0.83 MMP1 (0.39) MMP1MMP2MMP3RENTDP1
SCHEMBL1449031 0.83 MMP3 (0.35) MMP1MMP2MMP3RENTP53
SCHEMBL1449086 0.83 SLC6A2 (0.41) MMP1MMP2MMP3RENCTSL
SCHEMBL1449348 0.81 MMP3 (0.39) MMP1MMP2MMP3RENTSHR
SCHEMBL1449763 0.81 TP53 (0.38) MMP1MMP2MMP3CCR5REN
SCHEMBL1449414 0.79 POLB (0.36) MMP1MMP2MMP3TP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133864-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2012-03-13 US claimed
EP-1864994-B1 PAR-2 AGONIST KOWA CO (JP) 2011-10-26 EP claimed
US-20090215703-A1 PAR-2 Agonist KOWA COMPANY, LTD. (JP) 2009-08-27 US claimed
EP-1864994-A1 PAR-2 AGONIST Kowa Company, Ltd. (JP) 2007-12-12 EP claimed
US-8133864-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2012-03-13 US disclosed
EP-1864994-B1 PAR-2 AGONIST KOWA CO (JP) 2011-10-26 EP disclosed
US-20090215703-A1 PAR-2 Agonist KOWA COMPANY, LTD. (JP) 2009-08-27 US disclosed
EP-1864994-A1 PAR-2 AGONIST Kowa Company, Ltd. (JP) 2007-12-12 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-20090215703-A1 PAR-2 Agonist FPR2, F2RL1, FPR3 MMP1 2349/4885MMP2 2632/4885MMP3 819/4885

“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.