SCHEMBL17825658

SCHEMBL17825658

CCOC(=O)c1ccc(C(C#N)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
HPGD P15428 4/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL20134842 0.81 SMN1; SMN2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL2685378 0.81 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL16812543 0.80 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL24548383 0.79 CTSK (0.41) LMNACYP1A2HPGDRAB9AMAPT
SCHEMBL15268669 0.79 LMNA (0.44) LMNAHPGDHTTMAPTKMT2A
SCHEMBL17203999 0.79 CTSS (0.35) LMNACYP1A2CYP3A4MAOAHTT
SCHEMBL15268630 0.78 CTSS (0.48) MAPTMEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL18608207 0.77 CA1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL17466005 0.77 MEN1 (0.58) LMNAHTTMAPTMEN1KMT2A
SCHEMBL17825645 0.77 LMNA (0.50) CA12CA1CA2CA7CA9

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-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 CA12 1524/4885CA1 799/4885CA2 873/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 CA12 1524/4885CA1 799/4885CA2 873/4885

“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.