SCHEMBL16144668

SCHEMBL16144668

O=C(O)C(Cc1ccc(F)cc1)n1ccc(Br)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGS2 P35354 2/20 0.40
F9 P00740 1/20 0.39
CPA1 P15085 1/20 0.39
KMT2A Q03164 2/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16144684 0.87 HSD17B10 (0.54) ALDH1A1GAAHSD17B10POLBNPSR1
SCHEMBL16112291 0.86 NOS2 (0.40) ALDH1A1GAAF9KMT2AMEN1
SCHEMBL17503983 0.86 SLC1A1 (0.47) ALDH1A1GAAHSD17B10POLBNPSR1
SCHEMBL16144683 0.75 MEN1 (0.46) ALDH1A1GAAHSD17B10POLBNPSR1
SCHEMBL16137853 0.74 HSD17B10 (0.47) ALDH1A1GAAHSD17B10POLBNPSR1
SCHEMBL28511063 0.74 MCL1 (0.47) PTGS2MCL1
SCHEMBL17504045 0.74 NPC1 (0.43) ALDH1A1GAANPSR1F9KMT2A
SCHEMBL17504017 0.73 PTGER3 (0.39) ALDH1A1POLBMCL1MAPTRECQL
SCHEMBL16137841 0.72 GCK (0.40) PTGS2
SCHEMBL17503998 0.72 NPC1 (0.41) ALDH1A1GAANPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 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 (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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI ALDH1A1 2920/4885GAA 1898/4885HSD17B10 1681/4885

“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.