SCHEMBL954403

SCHEMBL954403

Cn1cc(B(O)OC(C)(C)C(C)(C)O)c(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL11895145 0.81
SCHEMBL2745213 0.78 GAA (0.41) GAACYP2C19CYP1A2CYP2C9HTT
SCHEMBL18580413 0.77
SCHEMBL1534966 0.74
SCHEMBL15533151 0.71 SSTR4 (0.32)
SCHEMBL16739946 0.71 NPC1 (0.31)
SCHEMBL2634723 0.71 CREBBP (0.31)
SCHEMBL18580051 0.70 GSR (0.32)
SCHEMBL23912150 0.70
SCHEMBL1485660 0.67 KMT2A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods SHANGHAI INST ORGANIC CHEMISTRY CAS (CN) 2025-02-13 US disclosed
EP-4403557-A1 COMPOUND THAT INHIBITS PROGRAMMED CELL NECROSIS, AND PREPARATION METHOD THEREFOR Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2024-07-24 EP disclosed
WO-2023040818-A1 COMPOUND THAT INHIBITS PROGRAMMED CELL NECROSIS, AND PREPARATION METHOD THEREFOR 中国科学院上海有机化学研究所 2023-03-23 WO disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (7 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 GAA 1418/4885CYP2C19 731/4885CYP1A2 1643/4885
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS PRSS1, SERPINB1, SPINT2 GAA 336/4885CYP2C19 422/4885CYP1A2 710/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GAA 1693/4885CYP2C19 483/4885CYP1A2 224/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 388/4885CYP2C19 535/4885CYP1A2 744/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 388/4885CYP2C19 535/4885CYP1A2 744/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 388/4885CYP2C19 535/4885CYP1A2 744/4885
US-20250049812-A1 Compounds that Inhibit Necroptosis and Their Preparation Methods RIPK1, RIPK3, RIPK4 GAA 2273/4885CYP2C19 4548/4885CYP1A2 4345/4885

“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.