SCHEMBL17023751

SCHEMBL17023751

Cc1ccc(S(=O)(=O)OCCc2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CYP19A1 P11511 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
IKBKB O14920 1/20 0.36
FFAR1 O14842 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
CCNA1 P78396 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HSD11B1 P28845 1/20 0.35
CYP24A1 Q07973 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
SCHEMBL7724359 0.88 FFAR1 (0.49) BCHEACHELMNASMN1; SMN2FFAR1
SCHEMBL18289526 0.87 CYP19A1 (0.50) BCHEACHECYP19A1CA12CA1
SCHEMBL8199145 0.83 BCHE (0.54) BCHEACHELMNASMN1; SMN2CA1
SCHEMBL7723991 0.81 ALDH1A1 (0.46) BCHEACHECYP19A1CA12CA1
SCHEMBL8098024 0.81 EGFR (0.51) BCHEACHECYP19A1CA12CA1
SCHEMBL8206287 0.81 LMNA (0.46) BCHEACHECYP19A1LMNASMN1; SMN2
SCHEMBL1579408 0.81 FFAR1 (0.47) BCHEACHELMNASMN1; SMN2FFAR1
SCHEMBL3960748 0.80 CHRM2 (0.49) BCHEACHELMNACA1CA9
SCHEMBL241683 0.80 CA9 (0.54) BCHEACHELMNASMN1; SMN2CA12
SCHEMBL18934283 0.79 CYP19A1 (0.48) BCHEACHECYP19A1CA12CA1

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 BCHE 680/4885ACHE 448/4885CYP19A1 2936/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO BCHE 680/4885ACHE 448/4885CYP19A1 2936/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO BCHE 680/4885ACHE 448/4885CYP19A1 2936/4885

“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.