SCHEMBL17023780

SCHEMBL17023780

Cc1ccc(S(=O)(=O)OCCc2ccccc2C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
VDR P11473 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP24A1 Q07973 1/20 0.36
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL7724329 0.88 ALDH1A1 (0.53) CYP3A4CYP2C19ALDH1A1GAACYP2D6
SCHEMBL12676668 0.82 MEN1 (0.51) ALDH1A1GAAVDRMEN1KMT2A
SCHEMBL1904847 0.80 VDR (0.40) ALDH1A1VDRMEN1KMT2ACA12
SCHEMBL8209789 0.80 TP53 (0.51) ALDH1A1VDRMEN1KMT2ALMNA
SCHEMBL2568984 0.80 ALDH1A1 (0.48) ALDH1A1VDRMEN1KMT2ACA12
SCHEMBL28774223 0.80 MEN1 (0.46) GAAVDRMEN1KMT2ACA12
SCHEMBL5748460 0.80 LMNA (0.48) CYP3A4ALDH1A1CYP2D6VDRMEN1
SCHEMBL9316876 0.79 CA12 (0.47) VDRMEN1KMT2ACA12CA1
SCHEMBL18926552 0.78 PSMD10 (0.45) CYP3A4CYP2C19ALDH1A1CYP2C9VDR
SCHEMBL32679667 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 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 (3 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-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CYP3A4 2777/4885CYP2C19 1578/4885ALDH1A1 2568/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO CYP3A4 2777/4885CYP2C19 1578/4885ALDH1A1 2568/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO CYP3A4 2777/4885CYP2C19 1578/4885ALDH1A1 2568/4885

“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.