SCHEMBL18152973

SCHEMBL18152973

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
DAO P14920 1/20 0.35
EED O75530 1/20 0.33
RBBP4 Q09028 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
AEBP2 Q6ZN18 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CTPS1 P17812 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL160666 0.76 ALDH1A1 (0.36) TP53DAOCA2LMNAALDH1A1
SCHEMBL1185519 0.73 SLC7A5 (0.36) DAOEEDRBBP4SUZ12EZH2
SCHEMBL5857383 0.73 GSK3B (0.51) TP53DAOCA2ALDH1A1SLC7A5
SCHEMBL18152995 0.73 GSK3B (0.44) DAOCA2ALDH1A1SLC7A5
SCHEMBL5292745 0.73 DAO (0.55) DAOALDH1A1CTPS1
SCHEMBL1753907 0.73 CES2 (0.53) TP53DAOCA2LMNAALDH1A1
SCHEMBL8571706 0.72 CA12 (0.45) CA2LMNAALDH1A1SLC7A5
SCHEMBL12980325 0.72 CA12 (0.45) CA2LMNAALDH1A1SLC7A5
SCHEMBL13141281 0.71 MAPT (0.42) DAOLMNAALDH1A1SLC7A5
SCHEMBL18153011 0.71 ALDH1A1 (0.36) DAOALDH1A1

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 TP53 4599/4885DAO 1682/4885EED 2652/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI TP53 4599/4885DAO 1682/4885EED 2652/4885

“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.