SCHEMBL4526971

SCHEMBL4526971

Cc1ccc(S(=O)(=O)N[C@H]2CC3(C=CC(=O)C=C3)OC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CYP3A4 P08684 5/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
MMP2 P08253 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL13604698 0.81 HTT (0.37) HTTCYP3A4ALDH1A1TSHRKMT2A
SCHEMBL8436646 0.80 HTT (0.54) HTTCYP3A4ALDH1A1TSHRMMP2
SCHEMBL13604707 0.80 HTT (0.38) HTTCYP3A4ALDH1A1TSHRKMT2A
SCHEMBL9153465 0.69 ALDH1A1 (0.53) HTTCYP3A4ALDH1A1TSHRKMT2A
SCHEMBL4669533 0.69 ALDH1A1 (0.53) HTTCYP3A4ALDH1A1TSHRKMT2A
SCHEMBL7417712 0.69 ALDH1A1 (0.53) HTTCYP3A4ALDH1A1TSHRKMT2A
SCHEMBL1876422 0.69 APP (0.48) HTTMMP2PSEN1PSEN2APH1B
SCHEMBL29204879 0.68 ALDH1A1 (0.50) CYP3A4ALDH1A1TSHRMMP2KMT2A
SCHEMBL2372546 0.66 ALDH1A1 (0.83) HTTCYP3A4ALDH1A1TSHRKMT2A
SCHEMBL24478121 0.66 ALDH1A1 (0.61) HTTCYP3A4ALDH1A1TSHRMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
WO-2008022462-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2008-02-28 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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 HTT 2242/4885CYP3A4 726/4885ALDH1A1 495/4885

“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.