SCHEMBL17825645

SCHEMBL17825645

CCOC(=O)c1ccc(C(CN)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
STS P08842 1/20 0.43
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL5547216 0.82 CA12 (0.43) CA1CA2CA12CA9CA14
SCHEMBL16812543 0.81 CA12 (0.51) LMNACYP1A2CYP3A4MAOACA1
Hydrochloric Acid SCHEMBL2684961 0.81 CA12 (0.43) CA1CA2CA12CA9CA14
SCHEMBL9895911 0.80 KMT2A (0.48) LMNACYP1A2CYP3A4MAOACA1
SCHEMBL5878267 0.80 HTR2A (0.39) CYP1A2RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL15268895 0.80 ROCK1 (0.41) HTTMAPTALDH1A1
SCHEMBL15268712 0.79 SLC6A2 (0.42) LMNACYP1A2NPSR1MEN1KMT2A
SCHEMBL18608207 0.78 CA1 (0.63) LMNACYP1A2CYP3A4MAOACA1
Water SCHEMBL27911004 0.78 ESR1 (0.35) LMNAESR1ESR2KMT2A
SCHEMBL2644695 0.77 LMNA (0.47) LMNACYP1A2CYP3A4MAOACA1

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 LMNA 1056/4885CYP1A2 1111/4885CYP3A4 963/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 LMNA 1056/4885CYP1A2 1111/4885CYP3A4 963/4885

“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.