Sugi Predict

Sugi Predict / Compounds / SCHEMBL16607372

SCHEMBL16607372

SCHEMBL16607372

COC(=O)[C@@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c1c(C)cc(OCCCC(=O)O)cc1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA2 P00918 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ ITGAV P06756 5/20 0.37
▸ FABP4 P15090 1/20 0.36
▸ BMP1 P13497 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ ITGB3 P05106 3/20 0.35
▸ SUCNR1 Q9BXA5 4/20 0.35
▸ TSHR P16473 1/20 0.34
▸ ITGA2B P08514 2/20 0.33

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
SCHEMBL2278942 1.00 CA12 (0.37) CA12CA1CA2CA9ITGAV
SCHEMBL12372081 1.00 CA12 (0.37) CA12CA1CA2CA9ITGAV
SCHEMBL24136426 0.88 CA12 (0.37) CA12CA1CA2CA9ITGAV
SCHEMBL14288958 0.85 FABP4 (0.41) ITGAVFABP4BMP1MCL1TSHR
SCHEMBL5970148 0.85 FABP4 (0.41) CA12CA1CA2CA9FABP4
SCHEMBL16607500 0.85 CA12 (0.50) CA12CA1CA2CA9ITGAV
SCHEMBL26464688 0.85 CA12 (0.50) CA12CA1CA2CA9ITGAV
SCHEMBL26057634 0.85 CA12 (0.50) CA12CA1CA2CA9ITGAV
SCHEMBL8313513 0.84 SYK (0.42) CA1CA2
SCHEMBL26463144 0.84 SYK (0.42) CA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 — — US disclosed
EP-3050878-B1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORP (JP) 2021-10-27 — — EP disclosed
EP-3050878-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF Fujifilm Corporation (JP) 2016-08-03 — — EP disclosed
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2016-07-14 — — US disclosed
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2016-07-14 — — US disclosed
WO-2015046278-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF 富士フイルム株式会社 2015-04-02 — — WO disclosed
CN-1582166-A Vitronectin receptor antagonist pharmaceuticals for use in combination therapy BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-02-16 — — CN disclosed
CN-1541115-A Smulaneous imaging of cardiac perfusion and vitronection receptor targeted imaging agent ����˹�ж�-����˹˹����ҩƷ��˾ 2004-10-27 — — CN 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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 CA12 124/4885CA1 111/4885CA2 185/4885
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 CA12 128/4885CA1 118/4885CA2 188/4885

“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.