SCHEMBL1449348

SCHEMBL1449348

Cc1cc(C(=O)N(C(=O)CNC(=O)CNC(=O)[C@@H](N)CC2CCCCC2)[C@@H](CC2CCCCC2)C(=O)NCCN2CCCCC2)oc1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 8/20 0.39
MMP1 P03956 7/20 0.39
MMP2 P08253 7/20 0.39
REN P00797 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MAPT P10636 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
SCHEMBL1449086 0.87 SLC6A2 (0.41) MMP3MMP1MMP2RENKMT2A
SCHEMBL1449333 0.86 MMP1 (0.39) MMP3MMP1MMP2RENALDH1A1
SCHEMBL1450242 0.85 MMP1 (0.39) MMP3MMP1MMP2RENRAB9A
SCHEMBL1449031 0.83 MMP3 (0.35) MMP3MMP1MMP2RENALDH1A1
SCHEMBL1449640 0.81 TP53 (0.33) MMP3MMP1MMP2RENALDH1A1
SCHEMBL265370 0.81 MMP1 (0.39) MMP3MMP1MMP2RENTSHR
SCHEMBL1449763 0.80 TP53 (0.38) MMP3MMP1MMP2RENTSHR
Hydrochloric Acid SCHEMBL266228 0.80 MMP1 (0.38) MMP3MMP1MMP2RENTSHR
SCHEMBL1449467 0.80 CIT (0.33) MMP3MMP1MMP2RENTSHR
SCHEMBL1449025 0.79 REN (0.42) MMP3MMP1MMP2RENALDH1A1

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 5 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 claimed
US-20090131330-A1 PAR-2 AGONIST KOWA CO., LTD. (JP) 2009-05-21 US claimed
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 MMP3 1292/4885MMP1 3129/4885MMP2 2853/4885

“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.