SCHEMBL5748460

SCHEMBL5748460

Cc1ccc(S(=O)(=O)OCCc2ccccc2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48
ALDH1A1 P00352 2/20 0.47
VDR P11473 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CYP24A1 Q07973 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL23727436 0.90 LMNA (0.45) LMNACYP3A4CYP2D6MAPK1THPO
SCHEMBL30125726 0.90 LMNA (0.45) LMNACYP3A4CYP2D6MAPK1THPO
SCHEMBL12676668 0.85 MEN1 (0.51) ALDH1A1VDRKMT2AMEN1TAAR1
SCHEMBL24598179 0.83 THRB (0.42) LMNACYP3A4CYP2D6MAPK1THPO
SCHEMBL6098372 0.82 ALDH1A1 (0.48) LMNACYP3A4CYP2D6MAPK1THPO
SCHEMBL8209789 0.82 TP53 (0.51) LMNAMAPK1ALDH1A1VDRKMT2A
SCHEMBL2568984 0.82 ALDH1A1 (0.48) LMNAMAPK1ALDH1A1VDRKMT2A
SCHEMBL1904847 0.82 VDR (0.40) LMNAMAPK1ALDH1A1VDRKMT2A
SCHEMBL28774223 0.82 MEN1 (0.46) LMNAMAPK1VDRKMT2AMEN1
SCHEMBL9316876 0.81 CA12 (0.47) VDRKMT2AMEN1TAAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
US-7034015-B2 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2006-04-25 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 WO disclosed
EP-1423356-A2 NOVEL AMINOBENZOEPHENONES Leo Pharma A/S (DK) 2004-06-02 EP disclosed
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors LEO PHARMA A/S (DK) 2003-06-26 US disclosed
WO-2003018535-A2 NOVEL AMINOBENZOEPHENONES LEO PHARMA A/S (DK) 2003-03-06 WO disclosed
EP-1090008-A4 SYNTHESES OF A VARIETY OF LAMELLARIN COMPOUNDS AND ANALOGUES UNIV AUSTRALIAN (AU) 2003-01-02 EP disclosed
US-6469171-B1 NON-TOXIC MODULATORS OF THE MULTIDRUG RESISTANT PHENOTYPE THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2002-10-22 US disclosed
EP-1090008-A1 SYNTHESES OF A VARIETY OF LAMELLARIN COMPOUNDS AND ANALOGUES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2001-04-11 EP disclosed
WO-1999067250-A1 SYNTHESES OF A VARIETY OF LAMELLARIN COMPOUNDS AND ANALOGUES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1999-12-29 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 (2 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-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 LMNA 410/4885CYP3A4 3877/4885CYP2D6 1940/4885
US-20030119902-A1 Interleukin 1 beta and tumour necrosis factor alpha inhibitors IL1B, IL1A, TNF LMNA 3134/4885CYP3A4 1567/4885CYP2D6 1746/4885

“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.