SCHEMBL6882900

SCHEMBL6882900

CS(=O)(=O)c1ccc(/C(=C2\CCOC2=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
PTGS2 P35354 7/20 0.41
FAAH O00519 1/20 0.38
PTGS1 P23219 3/20 0.36
AKR1C2 P52895 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ABCB11 O95342 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MT-CO2 P00403 1/20 0.35
HTR1A P08908 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MC4R P32245 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6882905 1.00 AKR1C3 (0.42) AKR1C3PTGS2FAAHPTGS1AKR1C2
SCHEMBL7887232 0.89 PTGS2 (0.48) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7802251 0.89 PTGS2 (0.48) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7802249 0.89 PTGS2 (0.48) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL7806110 0.89 PTGS2 (0.46) AKR1C3PTGS2PTGS1AKR1C2MAOB
SCHEMBL7806112 0.89 PTGS2 (0.46) AKR1C3PTGS2PTGS1AKR1C2MAOB
SCHEMBL7807200 0.88 PTGS2 (0.47) AKR1C3PTGS2PTGS1
SCHEMBL7807198 0.88 PTGS2 (0.47) AKR1C3PTGS2PTGS1
SCHEMBL7806930 0.86 PTGS2 (0.46) AKR1C3PTGS2PTGS1AKR1C2ADORA3
SCHEMBL7807292 0.86 PTGS2 (0.48) AKR1C3PTGS2PTGS1AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040185110-A1 Formulations of low solubility bioactive agents and processes for making the same BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US claimed
WO-2004043358-A2 FORMULATIONS OF LOW SOLUBILITY BIOACTIVE AGENTS AND PROCESSES FOR MAKING THE SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO claimed
EP-1207856-A2 COFORMULATION METHODS AND THEIR PRODUCTS Bradford Particle Design Limited (GB) 2002-05-29 EP claimed
WO-2001015664-A2 COFORMULATION METHODS AND THEIR PRODUCTS BRADFORD PARTICLE DESIGN LIMITED (GB) 2001-03-08 WO claimed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US claimed
EP-1207856-A2 COFORMULATION METHODS AND THEIR PRODUCTS Bradford Particle Design Limited (GB) 2002-05-29 EP disclosed
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP disclosed
WO-2001015664-A2 COFORMULATION METHODS AND THEIR PRODUCTS BRADFORD PARTICLE DESIGN LIMITED (GB) 2001-03-08 WO disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US 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-20040185110-A1 Formulations of low solubility bioactive agents and processes for making the same BMP1, BMP2, MMP7 AKR1C3 2218/4885PTGS2 1383/4885FAAH 1146/4885

“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.