SCHEMBL17203045

SCHEMBL17203045

CNC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 7/20 0.50
STAT3 P40763 2/20 0.50
KMT2A Q03164 8/20 0.49
MEN1 O00255 7/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

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
SCHEMBL16639670 0.83 KMT2A (0.54) ALDH1A1MAPTSTAT3KMT2AMEN1
SCHEMBL20057524 0.83 CYP17A1 (0.55) ALDH1A1KMT2ANPC1RAB9ACA12
SCHEMBL8953881 0.82 MAPT (0.71) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL2344970 0.82 CA1 (0.50) ALDH1A1MAPTSTAT3KMT2AMEN1
SCHEMBL17368422 0.81 L3MBTL1 (0.66) ALDH1A1MAPTSTAT3KMT2AMEN1
SCHEMBL109451 0.80 CA1 (0.61) ALDH1A1STAT3MAPK1CA12CA1
SCHEMBL18025996 0.79 CA1 (0.50) ALDH1A1MAPTSTAT3KMT2AMEN1
SCHEMBL21015618 0.79 HPGD (0.55) MAPTSTAT3HTTCA12CA1
SCHEMBL17368421 0.79 RAB9A (0.57) ALDH1A1MAPTSTAT3KMT2AMEN1
SCHEMBL15168423 0.79 PDK1 (0.52) ALDH1A1MAPTSTAT3KMT2AMEN1

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 ALDH1A1 3635/4885MAPT 3611/4885STAT3 2247/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 ALDH1A1 3478/4885MAPT 3721/4885STAT3 2756/4885

“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.