SCHEMBL18152995

SCHEMBL18152995

CCC(=O)c1csc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CA2 P00918 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DAO P14920 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGDS O60760 1/20 0.33
SLC7A5 Q01650 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL1185438 0.88 GSK3B (0.44) GSK3BBAZ2BBAZ2APPARGPPARA
SCHEMBL15079197 0.86 GSK3B (0.42) GSK3BCA2CA12CA1CA9
SCHEMBL5857383 0.82 GSK3B (0.51) GSK3BCA2CA12CA1CA9
SCHEMBL16753610 0.82 DAO (0.47) GSK3BCA2CA12CA1CA9
SCHEMBL15057163 0.81 CA12 (0.39) GSK3BCA2CA12CA1CA9
SCHEMBL18152997 0.76 GSK3B (0.33) GSK3BCA2CA12CA1CA9
SCHEMBL5856640 0.76 MAPT (0.44) GSK3BCA2CA12CA1CA9
SCHEMBL1753907 0.75 CES2 (0.53) GSK3BCA2CA12CA1CA9
SCHEMBL160666 0.75 ALDH1A1 (0.36) CA2CA12CA1CA9CA14
SCHEMBL5292745 0.75 DAO (0.55) ALDH1A1DAOHPGDSNPSR1

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-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI GSK3B 366/4885BAZ2B 1283/4885BAZ2A 1660/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI GSK3B 366/4885BAZ2B 1283/4885BAZ2A 1660/4885

“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.