SCHEMBL3386175

SCHEMBL3386175

COc1cc(F)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NQO2 P16083 1/20 0.41
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
PTGS2 P35354 2/20 0.37
PTGS1 P23219 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
ACHE P22303 1/20 0.34
CXCR2 P25025 1/20 0.34
EGFR P00533 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34

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
SCHEMBL1713657 0.92 ALDH1A1 (0.48) ALDH1A1NQO2CYP1A1CYP1B1PTGS2
SCHEMBL775781 0.86 CA1 (0.37) CXCR2
SCHEMBL509273 0.85 ALDH1A1 (0.41) ALDH1A1NQO2CYP1A1CYP1B1FFAR4
SCHEMBL7367391 0.84 ADORA2A (0.44) ALDH1A1CYP1A1CYP1B1FFAR4SLC22A12
SCHEMBL309328 0.82 ALDH1A1 (0.38) ALDH1A1CYP1A1CYP1B1CXCR2AKR1C3
SCHEMBL926505 0.82 CA2 (0.41) CXCR2
SCHEMBL10204404 0.81 EPAS1 (0.37) FFAR4PTGS2CXCR2
SCHEMBL9957670 0.81 ALDH1A1 (0.44) ALDH1A1NQO2CYP1A1CYP1B1FFAR4
SCHEMBL4730537 0.81 CYP1A1 (0.47) ALDH1A1NQO2CYP1A1CYP1B1PTGS2
SCHEMBL4174925 0.81 EPAS1 (0.39) ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 US disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 US disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 US disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 US disclosed
US-20070259944-A1 Indoline derivatives WYETH (US) 2007-11-08 US disclosed
US-7253203-B2 Indoline derivatives WYETH (US) 2007-08-07 US disclosed
EP-1175398-B1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS WYETH CORP (US) 2007-07-11 EP disclosed
US-7084168-B2 Indoline derivatives WYETH (US) 2006-08-01 US disclosed
US-20060160882-A1 Indoline derivatives WYETH (US) 2006-07-20 US disclosed
US-6608068-B2 Substituted indoline derivative compounds which are antagonists of the progesterone receptor; contraceptives; antineoplastic agents WYETH 2003-08-19 US disclosed
US-6544970-B2 Administering in a first phase of a progestational agent (levonorgestrel or ethinylestradiol) and in a second phase an antiprogestin that is an indolinone derivative, especially a 3-spiroalkylene derivative WYETH 2003-04-08 US disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
EP-1175398-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS American Home Products Corporation (US) 2002-01-30 EP disclosed
EP-1173212-A1 CONTRACEPTIVE COMPOSITIONS CONTANING INDOLONE DERIVATIVES AND PROGESTATIONAL AGENTS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066167-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING INDOLINE DERIVATIVES AND PROGESTATIONAL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066556-A1 INDOLINE DERIVATIVES AS PROGESTERONE ANTAGONISTS 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-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists CHRNA1, CHRNA7, CHRNB1 ALDH1A1 893/4885NQO2 944/4885CYP1A1 974/4885
US-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR ALDH1A1 1415/4885NQO2 1956/4885CYP1A1 214/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR ALDH1A1 1588/4885NQO2 1848/4885CYP1A1 210/4885
US-20060160882-A1 Indoline derivatives PGR, GNRHR, PRLHR ALDH1A1 1415/4885NQO2 1956/4885CYP1A1 214/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 ALDH1A1 1414/4885NQO2 3074/4885CYP1A1 528/4885

“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.