SCHEMBL4934980

SCHEMBL4934980

Cc1ccc(S(=O)(=O)OC[C@]2(O)C(C)(C)[C@@]2(O)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.43
GAA P10253 2/20 0.39
KMT2A Q03164 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
MEN1 O00255 2/20 0.38
VDR P11473 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
SCHEMBL7077048 0.82 CYP2D6 (0.37) STAT3KMT2ASMN1; SMN2CYP2D6ALDH1A1
SCHEMBL16641783 0.79 KMT2A (0.49) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL15286533 0.79 KMT2A (0.45) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL30609565 0.79 KMT2A (0.49) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL20898576 0.78 STAT3 (0.41) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL18047923 0.77 SMN1; SMN2 (0.46) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL3807712 0.77 STAT3 (0.40) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL18213 0.77 KMT2A (0.54) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL3598688 0.77 KMT2A (0.50) STAT3GAAKMT2ASMN1; SMN2CYP2D6
SCHEMBL5535445 0.77 STAT3 (0.40) STAT3GAAKMT2ASMN1; SMN2CYP2D6

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-20080003524-A1 Sulfonate-Containing Anti-Reflective Coating Forming Composition for Lithography NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20040235990-A1 3-4-Alkylenedioxythiophene diols, their preparation and use in capacitors H.C. STARCK GMBH (DE) 2004-11-25 US disclosed
EP-1460078-A1 3,4-alkylenedioxythiophendioles and electrically conducting polymers thereof for use in capacitors H.C. Starck GmbH (DE) 2004-09-22 EP disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 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 (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-20040235990-A1 3-4-Alkylenedioxythiophene diols, their preparation and use in capacitors KCNN4, KCNN2, KCNN1 STAT3 4281/4885GAA 4885/4885KMT2A 2641/4885

“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.