Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL3524850

COc1cccc(F)c1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NFE2L2 Q16236 3/20 0.50
ALDH1A1 P00352 2/20 0.48
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ENPP2 Q13822 1/20 0.43
PKM P14618 1/20 0.43
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
NR1H2 P55055 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
1-Hydroxy-3-Methoxybenzene SCHEMBL28389126 0.83 ESR1 (0.53) NPC1RAB9ASMN1; SMN2CES2CES1
Trifluoromethanesulfonic Acid SCHEMBL3354312 0.82 CES2 (0.46) NPC1RAB9ASMN1; SMN2CES2CES1
Methyl Alcohol SCHEMBL27532229 0.82 NFE2L2 (0.63) NPC1RAB9ANFE2L2ALDH1A1MAOB
SCHEMBL7024203 0.82
SCHEMBL166269 0.82
SCHEMBL29635683 0.82
1-Hydroxy-3-Methoxybenzene SCHEMBL7085846 0.81 CES2 (0.41) MAOBCES2CES1ENPP2PKM
Anisole SCHEMBL4551224 0.80 CA4 (0.56) NFE2L2CES2CES1PKM
Ammonia Solution, Strong SCHEMBL4264966 0.80 NFE2L2 (0.66) NPC1RAB9ANFE2L2ALDH1A1MAOB
Water SCHEMBL28234339 0.80 NFE2L2 (0.66) NPC1RAB9ANFE2L2ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645761-B2 Indoline derivatives WYETH (US) 2010-01-12 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
CN-1141295-C Indoline derivatives as progesterohe antagonists �Ʒ� 2004-03-10 CN disclosed
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents WYETH 2003-11-27 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
CN-1350523-A Indoline derivatives as progesterone antagonists AMERICAN HOME PROD (US) 2002-05-22 CN 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-20070259944-A1 Indoline derivatives PGR, GNRHR, PRLHR NPC1 1264/4885RAB9A 3135/4885NFE2L2 1491/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR NPC1 1385/4885RAB9A 2729/4885NFE2L2 2117/4885
US-20060160882-A1 Indoline derivatives PGR, GNRHR, PRLHR NPC1 1264/4885RAB9A 3135/4885NFE2L2 1491/4885
US-20030220388-A1 Amides such as 5-(3-Nitrophenyl)-1,3-dihydro-indol-2-one, used as antiprogesterones, contraceptives, for hormone replacement therapy during menopause and as anticarcinogenic agents PGR, CYP19A1, PGRMC1 NPC1 1325/4885RAB9A 3133/4885NFE2L2 1215/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 NPC1 4081/4885RAB9A 3170/4885NFE2L2 1593/4885

“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.