SCHEMBL3775170

SCHEMBL3775170

Cc1ccc(S(=O)(=O)OCCc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 4/20 0.56
PKM P14618 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HTT P42858 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43

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
SCHEMBL6993704 0.92 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPKMMEN1KMT2A
SCHEMBL2033633 0.86 SMN1; SMN2 (0.44) SMN1; SMN2LMNAPKMMEN1KMT2A
SCHEMBL30408858 0.84 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMEN1KMT2ARAB9A
SCHEMBL1346659 0.83 MAOB (0.48) SMN1; SMN2LMNAPKMMEN1KMT2A
SCHEMBL21344358 0.82 CA1 (0.39) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL31490117 0.82 CA1 (0.39) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL5746370 0.82 SMN1; SMN2 (0.45) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL1345772 0.81 MAOB (0.42) SMN1; SMN2LMNAPKMMEN1KMT2A
SCHEMBL18289524 0.81 CA1 (0.50) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL6906905 0.81 CA1 (0.50) MEN1KMT2ANPC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 US disclosed
EP-1888574-B1 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 EP disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
EP-1888574-A2 NEW ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-02-20 EP disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO disclosed
WO-2006126171-A2 NEW ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-11-30 WO disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 WO disclosed
EP-0927177-A1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-07 EP disclosed
WO-1998011089-A1 NOVEL BENZOTHIOPHENE DERIVATIVES, THEIR PREPARATION AND USE AS UROKINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-03-19 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 (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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B SMN1; SMN2 4553/4885LMNA 1376/4885PKM 3138/4885

“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.