SCHEMBL3883369

SCHEMBL3883369

Cc1ccc(-c2cc(S(=O)(=O)O)ccc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.49
PTGS2 P35354 9/20 0.47
PTGS1 P23219 4/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GAA P10253 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
PKM P14618 1/20 0.41
LRRK2 Q5S007 1/20 0.41
MMP1 P03956 1/20 0.40

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
SCHEMBL13207918 0.90 LMNA (0.45) SNCAPTGS2PTGS1KDM4EALDH1A1
SCHEMBL13207912 0.90 LMNA (0.45) SNCAPTGS2PTGS1KDM4EALDH1A1
SCHEMBL10110953 0.89 ALDH1A1 (0.44) SNCAPTGS2PTGS1KDM4EALDH1A1
SCHEMBL4908045 0.88 LMNA (0.53) PTGS2PTGS1ALDH1A1LMNACA1
SCHEMBL7510471 0.86 CA12 (0.47) SNCAPTGS2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29111205 0.86 RAPGEF4 (0.44) SNCAPTGS2PTGS1ALDH1A1LMNA
SCHEMBL778956 0.86 PTGS2 (0.50) PTGS2PTGS1FFAR4
SCHEMBL3151103 0.86 ALDH1A1 (0.48) SNCAPTGS2KDM4EALDH1A1LMNA
SCHEMBL11324926 0.85 ALDH1A1 (0.45) SNCAKDM4EALDH1A1LMNAMAPT
SCHEMBL7624637 0.83 PTGS2 (0.48) PTGS2PTGS1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403801-B1 MIXING IN LIQUID MEDIUM STRONG BASE, ARYL HALIDE OR ARYL PSEUDOHALIDE, ARYLBORONIC ACID, NICKEL, PALLADIUM OR PLATINUM COMPOUND, N-HETEROCYCLIC CARBENE SELECTED FROM IMIDAZOLINE-2-YLIDENE, BIS(IMIDAZOLINE-2-YLIDENE) OR SALTS UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2002-06-11 US claimed
WO-2001066248-A2 C-C AND C-N COUPLING CATALYST COMPRISING TRANSITION METAL AND CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION (US) 2001-09-13 WO claimed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 WO disclosed
US-6235938-B1 ARYLATION IN THE PRESENCE OF A BASE AND TRANSITION METAL CATALYSTS TO FORM N-ARYLAMINE AND GROUP 8 METAL YALE UNIVERSITY 2001-05-22 US disclosed
US-6072073-A REACTING COMPOUND HAVING CARBONYL GROUP WITH ARYLATING OR VINYLATING COMPOUND IN PRESENCE OF BASE AND TRANSITION METAL CATALYST YALE UNIVERSITY (US) 2000-06-06 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 SNCA 4582/4885PTGS2 3184/4885PTGS1 1199/4885

“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.