SCHEMBL18153046

SCHEMBL18153046

CCC(O)c1csc(C(=O)OC(C)(C)C)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.33
EED O75530 1/20 0.32
RBBP4 Q09028 1/20 0.32
SUZ12 Q15022 1/20 0.32
EZH2 Q15910 1/20 0.32
AEBP2 Q6ZN18 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
SCHEMBL18153027 0.74 GSK3B (0.33) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL18153034 0.74 GSK3B (0.33)
SCHEMBL18152963 0.72 KDM4E (0.30)
SCHEMBL18152953 0.71 ALDH1A1 (0.33)
SCHEMBL18152951 0.69
SCHEMBL1185519 0.69 SLC7A5 (0.36) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL18152973 0.69 TP53 (0.39) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL8571706 0.64 CA12 (0.45)
SCHEMBL12980325 0.64 CA12 (0.45)
Hydrochloric Acid SCHEMBL27871149 0.64 KMT2A (0.44)

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 PDE2A 2680/4885EED 2652/4885RBBP4 4061/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI PDE2A 2680/4885EED 2652/4885RBBP4 4061/4885

“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.