Sugi Predict

Sugi Predict / Compounds / SCHEMBL13541197

SCHEMBL13541197

SCHEMBL13541197

CCCCOP(=O)(COS(=O)(=O)C(F)(F)F)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.42
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ LPAR3 Q9UBY5 3/20 0.34
▸ LPAR1 Q92633 2/20 0.34
▸ LPAR2 Q9HBW0 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL13850203 0.90 MEN1 (0.33) CA1CA2
SCHEMBL13541270 0.85 CYP3A4 (0.41) CYP3A4CA1CA2LPAR3LPAR1
SCHEMBL5749164 0.84 CYP3A4 (0.40) CYP3A4CA1CA2LPAR3LPAR1
SCHEMBL282279 0.82 TSHR (0.41) CA2TSHR
SCHEMBL777643 0.78 CA2 (0.52) CYP3A4CA1CA2TSHRHPGD
SCHEMBL29170929 0.76 CA1 (0.50) CYP3A4CA1CA2TSHRHPGD
Fluoride SCHEMBL27893472 0.76 CA1 (0.50) CYP3A4CA1CA2TSHRHPGD
SCHEMBL27930318 0.76 CA1 (0.50) CYP3A4CA1CA2TSHRHPGD
SCHEMBL27912318 0.76 CA1 (0.50) CYP3A4CA1CA2TSHRHPGD
SCHEMBL3380154 0.74 CA2 (0.33) 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-20220259253-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. 2022-08-18 — — US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
WO-2008098056-A2 HIGH RELAXIVITY CHELATES EPIX PHARMACEUTICALS, INC. (US) 2008-08-14 — — WO disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 — — 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 (4 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-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 CYP3A4 48/4885CA1 3242/4885CA2 4363/4885
US-20220259253-A1 CD73 INHIBITORS ENTPD5, NT5E, ENTPD1 CYP3A4 2580/4885CA1 2856/4885CA2 2826/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE CYP3A4 1961/4885CA1 4623/4885CA2 4756/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 CYP3A4 2660/4885CA1 3725/4885CA2 3915/4885

“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.