SCHEMBL7895805

SCHEMBL7895805

COC(=O)c1cc(C(=O)CBr)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.46
CTPS1 P17812 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 1/20 0.36
PTPN1 P18031 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 0.35
ABL1 P00519 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL939177 0.87 GSK3B (0.46) GSK3BALDH1A1MAPTMAPK1CASP1
SCHEMBL6196814 0.84 GSK3B (0.44) GSK3BALDH1A1MAPTNPSR1CA12
SCHEMBL15079197 0.83 GSK3B (0.42) GSK3BALDH1A1PTPN1CA12CA1
SCHEMBL70248 0.82 CA1 (0.47) GSK3BCTPS1ALDH1A1MAPTMAPK1
SCHEMBL8542214 0.80 CTPS1 (0.42) GSK3BCTPS1ALDH1A1MAPTMAPK1
SCHEMBL9495737 0.79 DAO (0.52) GSK3BCTPS1ALDH1A1NPSR1CA12
SCHEMBL7892516 0.79 GSK3B (0.56) GSK3BCTPS1ALDH1A1MAPTNPSR1
SCHEMBL25184460 0.77 GSK3B (0.50) GSK3BALDH1A1PTPN1LMNAPOLB
SCHEMBL1401554 0.76 NPSR1 (0.46) CTPS1ALDH1A1MAPTMAPK1CASP1
SCHEMBL6925640 0.75 ALDH1A1 (0.40) GSK3BCTPS1ALDH1A1MAPTMAPK1

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 16 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
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
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 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
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 WO disclosed
US-6174883-B1 ENZYME INHIBITORS OF PROSTAGLANDIN H2 SYNTHASE, 5-LIPOXYGENASE; INHIBITORS OF INTERLEUKIN-1 BIOSYNTHESIS; ANALGESICS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; BONE, CONNECTIVE TISSUE METABOLISM AND SKIN DISORDERS PFIZER INC. 2001-01-16 US disclosed
US-5919809-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1999-07-06 US disclosed
EP-0393936-B1 3-substituted-2-oxindole derivatives as antiinflammatory agents PFIZER (US) 1995-02-22 EP disclosed
US-5300655-A 2-carboxy-thiophene derivatives PFIZER INC. (US) 1994-04-05 US disclosed
US-5290802-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1994-03-01 US disclosed
US-5047554-A 3-substituted-2-oxindole derivatives PFIZER INC. (US) 1991-09-10 US disclosed
EP-0393936-A1 3-substituted-2-oxindole derivatives as antiinflammatory agents PFIZER INC. (US) 1990-10-24 EP 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 366/4885CTPS1 1470/4885ALDH1A1 3638/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI GSK3B 366/4885CTPS1 1470/4885ALDH1A1 3638/4885

“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.