SCHEMBL6013824

SCHEMBL6013824

CC(C)(C)OC(=O)n1cccc1.OBO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.40
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR119 Q8TDV5 3/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BUB1 O43683 1/20 0.33
CTSK P43235 1/20 0.33
MAPK1 P28482 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NR1H2 P55055 1/20 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
SCHEMBL421871 0.96 BCHE (0.42) BCHEUSP2SMN1; SMN2GPR119CHRM2
SCHEMBL28211953 0.93 BCHE (0.41) BCHEUSP2SMN1; SMN2GPR119CHRM2
Potassium SCHEMBL30616266 0.93 BCHE (0.41) BCHEUSP2SMN1; SMN2GPR119CHRM2
Oxalic Acid SCHEMBL27815998 0.89 BCHE (0.39) BCHEUSP2SMN1; SMN2GPR119CHRM2
Acetaldehyde SCHEMBL27475905 0.88 BCHE (0.38) BCHEUSP2SMN1; SMN2GPR119CHRM2
SCHEMBL14244805 0.88 BCHE (0.38) BCHEUSP2SMN1; SMN2GPR119CHRM2
SCHEMBL21190321 0.81 BCHE (0.44) BCHEGPR119CHRM2CHRM1CHRM3
SCHEMBL27815602 0.79 L3MBTL1 (0.33) BCHEUSP2SMN1; SMN2GPR119CTSK
SCHEMBL27815997 0.78 BCHE (0.33) BCHEUSP2SMN1; SMN2GPR119
SCHEMBL3246759 0.75 BCHE (0.41) BCHEUSP2SMN1; SMN2GPR119MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091234-B2 Thio-oxindole derivatives WYETH (US) 2006-08-15 US disclosed
US-6946454-B2 Thio-oxindole derivatives WYETH (US) 2005-09-20 US disclosed
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic WYETH (US) 2005-08-04 US disclosed
US-20050054711-A1 Thio-oxindole derivatives WYETH 2005-03-10 US disclosed
US-6841568-B2 Thio-oxindole derivatives WYETH (US) 2005-01-11 US disclosed
US-20030225109-A1 Thio-oxindole derivatives WYETH (US) 2003-12-04 US disclosed
US-6583145-B1 Thio-oxindole derivatives WYETH 2003-06-24 US disclosed
US-6521657-B2 Indole derivatives which are agonists of the progesterone receptor and useful for treatment of carcinoma and adenocarcinomas of uterine leiomyomata, endometriosis or polycystic ovary syndorme in a mammal WYETH 2003-02-18 US disclosed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 US disclosed
EP-1181275-A1 THIO-OXINDOLE DERIVATIVES American Home Products Corporation (US) 2002-02-27 EP disclosed
WO-2000066555-A1 THIO-OXINDOLE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 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 (5 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-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 BCHE 4846/4885USP2 3447/4885SMN1; SMN2 4842/4885
US-20030225109-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 BCHE 4845/4885USP2 3711/4885SMN1; SMN2 4830/4885
US-20050171186-A1 3-(1',2'-Dihydro-2'-thioxospiro[cyclohexane-1,3'-[3H]indol]-5'-yl)benzonitrile; 5'-(5-Cyano-1-methyl-1H-pyrrol-2-yl)spiro[cyclohexane-1,3'-[3H]indol]-2'-ylidenecyanamide; progesterone receptor agonist; mixture with estrone (estrogen); hormone replacement therapy, contraception; anticarcinogenic PGR, ESR1, PGRMC1 BCHE 3486/4885USP2 4125/4885SMN1; SMN2 4784/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 BCHE 4445/4885USP2 3670/4885SMN1; SMN2 4685/4885
US-20050054711-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 BCHE 4835/4885USP2 3519/4885SMN1; SMN2 4842/4885

“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.