SCHEMBL17238560

SCHEMBL17238560

COC(=O)C(O)[C@H]1OC(C)(C)CN(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
OPRM1 P35372 6/20 0.42
OPRL1 P41146 5/20 0.42
KMT2A Q03164 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
GRM2 Q14416 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL17238564 1.00 MMP1 (0.45) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238563 1.00 MMP1 (0.45) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238331 0.90 MMP1 (0.43) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238332 0.90 MMP1 (0.43) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL15819471 0.90 MMP1 (0.43) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238272 0.90 MMP1 (0.43) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238555 0.90 OPRM1 (0.43) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238552 0.90 OPRM1 (0.43) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238551 0.90 OPRM1 (0.43) MMP1MMP13CYP3A4CYP2C19OPRM1
SCHEMBL17238333 0.72 F9 (0.47) MMP1MMP13CYP3A4CYP2C19OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed
EP-2934537-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9914727-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-03-13 US disclosed
US-9708308-B2 Factor IXa inhibitors MERCK SHARP DOHME CORP. (US) 2017-07-18 US disclosed
US-20150329562-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-20150322056-A1 Factor IXa Inhibitors MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US 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 (2 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-20150322056-A1 Factor IXa Inhibitors F9, F12, F8 MMP1 2351/4885MMP13 1173/4885CYP3A4 1308/4885
US-20150329562-A1 Factor IXa Inhibitors F12, F9, F11 MMP1 202/4885MMP13 137/4885CYP3A4 1351/4885

“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.