Sugi Predict

Sugi Predict / Compounds / SCHEMBL1782843

SCHEMBL1782843

SCHEMBL1782843

FC(F)(Br)c1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ PDK2 Q15119 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDK1 Q15118 1/20 0.32
▸ PDK3 Q15120 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
SCHEMBL6860810 0.83 CA1 (0.54) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL3675741 0.83 CA1 (0.54) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL14127381 0.83 CA1 (0.54) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL29447944 0.83 CA1 (0.54) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL363301 0.83 CA1 (0.54) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL4204571 0.82 ALDH1A1 (0.40) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL1453604 0.81 CA1 (0.52) CA1CA2CA5ACA9SMN1; SMN2
Water SCHEMBL11569092 0.81 CA1 (0.52) CA1CA2CA5ACA9SMN1; SMN2
SCHEMBL9876025 0.79 CA1 (0.50) CA1CA2CA5ACA9SMN1; SMN2
Nitrogen SCHEMBL9028084 0.79 CA1 (0.50) CA1CA2CA5ACA9SMN1; SMN2

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
US-20230099421-A1 A NEW METHOD OF 18F LABELLING AND INTERMEDIATE SALTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-03-30 — — US disclosed
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 — — EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 — — US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 — — US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 — — US 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 (3 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 CA1 4658/4885CA2 3535/4885CA5A 1010/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 CA1 4658/4885CA2 3535/4885CA5A 1010/4885
US-20230099421-A1 A NEW METHOD OF 18F LABELLING AND INTERMEDIATE SALTS NPY1R, TMEM14C, SLCO1B1 CA1 590/4885CA2 2394/4885CA5A 572/4885

“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.