SCHEMBL6440565

SCHEMBL6440565

CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(NC(=O)[C@@H](SC(C)=O)C(C)C)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.43
ECE1 P42892 7/20 0.42
HTRA1 Q92743 1/20 0.39
TACR2 P21452 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL8051789 1.00 MMP1 (0.43) MMP1ECE1HTRA1TACR2ALDH1A1
SCHEMBL8067899 0.92 MMP1 (0.41) MMP1ECE1TACR2CTSLCTSB
SCHEMBL8061343 0.91 ECE1 (0.43) ECE1
SCHEMBL6439631 0.90 ECE1 (0.51) MMP1ECE1
SCHEMBL8063600 0.86 KMT2A (0.49) ECE1
SCHEMBL8063587 0.84 ECE1 (0.41) ECE1TACR2
SCHEMBL8061347 0.84 ECE1 (0.41) ECE1TACR2
SCHEMBL8051791 0.84 ECE1 (0.41) ECE1TACR2
SCHEMBL8051794 0.84 ECE1 (0.41) ECE1TACR2
SCHEMBL5963487 0.82 TACR2 (0.45) MMP1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-03-31 US claimed
WO-2005016249-A2 COMPOSITIONS OF A CHROMENE OR PHENYL ACETIC ACID CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ACE INHIBITOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-02-24 WO claimed

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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage ACE, ACE2, AGTR2 MMP1 82/4885ECE1 22/4885HTRA1 170/4885

“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.