SCHEMBL2180225

SCHEMBL2180225

CS(=O)(=O)c1cc(Br)cs1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ACLY P53396 1/20 0.35
CA2 P00918 2/20 0.34
PTGS2 P35354 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GSK3B P49841 1/20 0.32
PTGS1 P23219 1/20 0.30
CCR2 P41597 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
SCHEMBL6282064 0.76 CES2 (0.43) CES2CES1ACLYCA2ALDH1A1
SCHEMBL1416183 0.76 CES2 (0.38) CES2CES1ACLYCA2ALDH1A1
SCHEMBL12674291 0.76 CES2 (0.34) CES2CES1ACLYCA2
SCHEMBL12666578 0.76 L3MBTL1 (0.48) CES2CES1ACLYCA2ALDH1A1
Hydrochloric Acid SCHEMBL28195525 0.74 CES2 (0.41) CES2CES1ACLYCA2ALDH1A1
SCHEMBL5138444 0.74 CES2 (0.41) CES2CES1ACLYCA2ALDH1A1
SCHEMBL5215479 0.74 ENPP2 (0.38) CA2PTGS2
SCHEMBL5138441 0.74 CES2 (0.37) CES2CES1ACLYCA2ALDH1A1
SCHEMBL23569834 0.73 CA2 (0.36) CES2CES1ACLYCA2ALDH1A1
SCHEMBL15880882 0.71 CA2 (0.39) CA2ALDH1A1

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
CN-102164908-B Selective estrogen repector modulator for the treatment of osteoarthritis LILLY CO ELI 2013-08-28 CN disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
US-8476300-B2 Selective estrogen receptor modulator for the treatment of osteoarthritis ELI LILLY AND COMPANY (US) 2013-07-02 US disclosed
CN-102164908-A Selective estrogen repector modulator for the treatment of osteoarthritis LILLY CO ELI 2011-08-24 CN disclosed
EP-2342189-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF OSTEOARTHRITIS ELI LILLY AND COMPANY (US) 2011-07-13 EP disclosed
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2011-07-07 US disclosed
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2011-07-07 US disclosed
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ELI LILLY AND COMPANY (US) 2011-07-07 US disclosed
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 US disclosed
WO-2010036497-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR ELI LILLY AND COMPANY (US) 2010-04-01 WO disclosed
WO-2010036497-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR ELI LILLY AND COMPANY (US) 2010-04-01 WO disclosed
US-7576108-B2 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
US-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators ELI LILLY AND COMPANY 2006-05-25 US disclosed
EP-1585739-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063179-A1 SUBSTITUTED ARYLCYCLOPROPYLACETAMIDES AS GLUCOKINASE ACTIVATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
EP-0100172-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-12 EP disclosed
US-4636505-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-13 US disclosed
EP-0100172-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-08 EP 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 (3 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 CES2 1967/4885CES1 890/4885ACLY 1821/4885
US-20110166182-A1 Selective Estrogen Receptor Modulator for the Treatment of Osteoarthritis ESRRA, GPER1, ESR2 CES2 4260/4885CES1 1497/4885ACLY 2705/4885
US-20060111353-A1 Substituted arylcyclopropylacetamides as glucokinase activators GCK, GCKR, GALK1 CES2 261/4885CES1 542/4885ACLY 407/4885

“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.