SCHEMBL17202841

SCHEMBL17202841

O=C(O)c1cccc(N2CCOCC2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMO O15229 1/20 0.62
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 2/20 0.48
F10 P00742 2/20 0.47

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
SCHEMBL209054 0.82 ALDH1A1 (0.61) ALDH1A1HPGDF10CMA1
SCHEMBL17202719 0.81 ALOX5 (0.53) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL13097259 0.81 F10 (0.49) KMT2AMEN1RAB9ANPC1F10
SCHEMBL198132 0.80 PTGS2 (0.57) KMT2AMEN1RAB9ANPC1F10
SCHEMBL30444472 0.79 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL1962849 0.79 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL30281223 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL351439 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20124865 0.79 PIK3CD (0.49) ALDH1A1KMT2AMEN1MAPTF10
SCHEMBL29740650 0.79 PIK3CD (0.49) ALDH1A1KMT2AMEN1MAPTF10

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
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
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
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US 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
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 ALDH1A1 3635/4885HPGD 1374/4885CYP1A2 1013/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 ALDH1A1 3478/4885HPGD 1390/4885CYP1A2 1031/4885

“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.