SCHEMBL18153034

SCHEMBL18153034

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SSTR4 P31391 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGDS O60760 1/20 0.32
SOS1 Q07889 1/20 0.31
GPR35 Q9HC97 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 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
SCHEMBL16057090 0.81 GPR35 (0.39) GSK3BCA12CA1CA2CA9
SCHEMBL15057811 0.80 MAPT (0.42) KDM4ESOS1MEN1KMT2A
SCHEMBL23330769 0.80 GSK3B (0.36) GSK3BCA12CA1CA2CA9
SCHEMBL18152953 0.79 ALDH1A1 (0.33) KDM4EHPGDS
SCHEMBL18152963 0.78 KDM4E (0.30) KDM4E
SCHEMBL18152951 0.77
SCHEMBL18153027 0.76 GSK3B (0.33) GSK3BKDM4EKMT2A
SCHEMBL20598124 0.76 MAPT (0.43) GSK3BKDM4EMEN1NPC1RAB9A
SCHEMBL18153046 0.74 PDE2A (0.33)
SCHEMBL5725289 0.74 POLB (0.46) CA12CA1CA2CA9CA14

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 366/4885CA12 1939/4885CA1 2317/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI GSK3B 366/4885CA12 1939/4885CA1 2317/4885

“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.