SCHEMBL17203151

SCHEMBL17203151

COC(=O)Nc1ccc2c(NC(Cc3ccccc3)C(=O)OC(C)(C)C)noc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.51
NPR3 P17342 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ITGA4 P13612 2/20 0.43
ITGB7 P26010 2/20 0.43
MAPT P10636 6/20 0.41
NPSR1 Q6W5P4 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
NTSR1 P30989 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KLK5 Q9Y337 1/20 0.40
POLB P06746 1/20 0.40
MLYCD O95822 1/20 0.40
FPR2 P25090 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
SCHEMBL17203152 1.00 F11 (0.51) F11NPR3CYP3A4CYP2C8CYP2C9
SCHEMBL17203190 0.89 F11 (0.54) F11NPR3MEN1KMT2AFPR2
SCHEMBL17202881 0.89 F11 (0.54) F11NPR3MEN1KMT2AFPR2
SCHEMBL17202987 0.85 ITGA4 (0.43) NPR3CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL17202986 0.85 ITGA4 (0.43) NPR3CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL17202851 0.82 ITGA4 (0.58) NPR3CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL17202850 0.82 ITGA4 (0.58) NPR3CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL18490916 0.81 F11 (0.51) F11NPR3CYP3A4CYP2C8CYP2C9
SCHEMBL18490915 0.81 F11 (0.51) F11NPR3CYP3A4CYP2C8CYP2C9
SCHEMBL30440561 0.72 MAPT (0.57) NPR3CYP3A4CYP2C8CYP2C9CYP2C19

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
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 WO 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-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI F11 1/4885NPR3 2194/4885CYP3A4 1711/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 F11 1/4885NPR3 2307/4885CYP3A4 1697/4885

“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.