SCHEMBL6972555

SCHEMBL6972555

C#CCOC(=O)C(C)(C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
TSHR P16473 3/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
NFKB1 P19838 1/20 0.32
CHRM3 P20309 1/20 0.32
THPO P40225 1/20 0.32
ELANE P08246 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL27657800 0.89 NPC1 (0.41) NPC1TSHRPOLBCYP2D6SLC1A3
SCHEMBL2478567 0.80 NPC1 (0.41) NPC1TSHRPOLBCYP2D6SLC1A3
SCHEMBL29151602 0.80 NPC1 (0.39) NPC1TSHRPOLBCYP2D6SLC1A3
SCHEMBL19117014 0.80 ACHE (0.36) NPC1TSHRPOLBCYP2D6SLC1A3
SCHEMBL4677672 0.78 NPC1 (0.39) NPC1TSHRPOLBCYP2D6SLC1A3
SCHEMBL4677677 0.78 NPC1 (0.39) NPC1TSHRPOLBCYP2D6SLC1A3
SCHEMBL16815032 0.78 NPC1 (0.39) NPC1TSHRPOLBCYP2D6SLC1A3
SCHEMBL4672967 0.77 NPC1 (0.38) NPC1TSHRPOLBCYP2D6CYP1A2
SCHEMBL4676580 0.77 NPC1 (0.38) NPC1TSHRPOLBCYP2D6CYP1A2
SCHEMBL4676587 0.77 NPC1 (0.38) NPC1TSHRPOLBCYP2D6SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069947-A Phosphorus-containing polymer adhesive, lithium-sulfur battery, and preparation methods and applications thereof 武汉工程大学 2023-11-17 CN claimed
CN-113527360-B Phosphine-nitrogen ligand and application of complex thereof in catalyzing asymmetric reaction 南方科技大学 2023-12-19 CN disclosed
CN-117069947-A Phosphorus-containing polymer adhesive, lithium-sulfur battery, and preparation methods and applications thereof 武汉工程大学 2023-11-17 CN disclosed
EP-1157019-B1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 HOFFMANN LA ROCHE (CH) 2003-03-19 EP disclosed
US-6495683-B2 HERPES VIRUS PHARMACIA AND UPJOHN COMPANY 2002-12-17 US disclosed
EP-1159279-B1 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2002-10-16 EP disclosed
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US disclosed
EP-1159279-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-05 EP disclosed
EP-1157019-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2001-11-28 EP disclosed
US-6303793-B1 INTERMEDIATES FOR CYCLIN-DEPENDENT KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-10-16 US disclosed
US-6252086-B1 CYCLIN-DEPENDENT KINASES INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-06-26 US disclosed
US-6239142-B1 HERPES VIRUS INFECTION PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
US-6130239-A INHIBIT CYCLIN-DEPENDENT KINASES HOFFMANN-LA ROCHE INC. (US) 2000-10-10 US disclosed
WO-2000053610-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-09-14 WO disclosed
WO-2000035908-A1 4-ALKENYL (AND ALKYNYL) OXINDOLES AS INHIBITORS OF CYCLIN-DEPENDENT KINASES, IN PARTICULAR CDK2 F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (1 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-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents IRF3, IL4, ZC3HAV1 NPC1 2738/4885TSHR 3064/4885POLB 751/4885

“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.