SCHEMBL18152953

SCHEMBL18152953

CC(C)(C)OC(=O)c1scc(C=O)c1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGDS O60760 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
SCHEMBL18152963 0.86 KDM4E (0.30) KDM4E
SCHEMBL18153034 0.79 GSK3B (0.33) KDM4EHPGDS
SCHEMBL18153027 0.73 GSK3B (0.33) KDM4E
SCHEMBL18152951 0.71
SCHEMBL18153046 0.71 PDE2A (0.33)
SCHEMBL1578571 0.70 CES2 (0.35) ALDH1A1
SCHEMBL2947290 0.69 ERN1 (0.39) ALDH1A1
SCHEMBL23235153 0.68 GRM6 (0.35) ALDH1A1KDM4EHPGDS
SCHEMBL23235209 0.67 CA12 (0.37) ALDH1A1KDM4EHPGDS
SCHEMBL16057090 0.67 GPR35 (0.39) ALDH1A1KDM4EHPGDS

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 ALDH1A1 3638/4885KDM4E 419/4885HPGDS 1463/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI ALDH1A1 3638/4885KDM4E 419/4885HPGDS 1463/4885

“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.