SCHEMBL1449640

SCHEMBL1449640

N[C@@H](CC1CCCCC1)C(=O)NCC(=O)NCC(=O)N(C(=O)c1c[nH]cn1)[C@@H](CC1CCCCC1)C(=O)NCCN1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP3 P08254 5/20 0.33
MMP1 P03956 4/20 0.33
MMP2 P08253 4/20 0.33
RAB9A P51151 1/20 0.32
RAD52 P43351 1/20 0.32
KIF11 P52732 1/20 0.32
REN P00797 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1449763 0.88 TP53 (0.38) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1449031 0.86 MMP3 (0.35) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1449467 0.86 CIT (0.33) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1449414 0.82 POLB (0.36) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL1450242 0.82 MMP1 (0.39) MMP3MMP1MMP2RAB9AKIF11
SCHEMBL1449333 0.81 MMP1 (0.39) TDP1MMP3MMP1MMP2REN
SCHEMBL1449348 0.81 MMP3 (0.39) TSHRMMP3MMP1MMP2RAB9A
SCHEMBL1449086 0.80 SLC6A2 (0.41) MMP3MMP1MMP2RAB9AREN
SCHEMBL265370 0.78 MMP1 (0.39) TP53CYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL266228 0.78 MMP1 (0.38) TP53CYP1A2CYP3A4CYP2D6TSHR

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 TP53 4331/4885CYP1A2 253/4885CYP3A4 384/4885

“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.