SCHEMBL3715141

SCHEMBL3715141

O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.75
CA9 Q16790 3/20 0.75
CA1 P00915 2/20 0.73
CA2 P00918 2/20 0.73
KMT2A Q03164 5/20 0.69
MEN1 O00255 4/20 0.69
ALDH1A1 P00352 2/20 0.69
PKM P14618 2/20 0.69
IL1RN P18510 1/20 0.68
KEAP1 Q14145 1/20 0.68
ERAP1 Q9NZ08 1/20 0.68
TMPRSS6 Q8IU80 2/20 0.68
POLB P06746 2/20 0.66
MAPT P10636 1/20 0.66
GAA P10253 1/20 0.62
ITGA1 P56199 1/20 0.62
GFER P55789 1/20 0.61
USP2 O75604 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TP53 P04637 1/20 0.60

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
SCHEMBL893905 0.93 CA12 (0.73) CA12CA9CA1CA2KMT2A
SCHEMBL5048564 0.90 UQCRB (0.71) CA12CA9CA1CA2KMT2A
SCHEMBL17913100 0.86 CA12 (1.00) CA12CA9CA1CA2KMT2A
SCHEMBL7932062 0.86 CA12 (0.73) CA12CA9CA1CA2KMT2A
SCHEMBL5452240 0.86 TMPRSS6 (0.73) CA12CA9CA1CA2KMT2A
SCHEMBL9285136 0.84 WDR5 (0.74) CA12CA9CA1CA2KMT2A
SCHEMBL1834055 0.84 CA12 (0.71) CA12CA9CA1CA2KMT2A
SCHEMBL95742 0.84 CA12 (0.71) CA12CA9CA1CA2KMT2A
SCHEMBL12010895 0.84 KMT2A (0.83) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL1028840 0.84 CA1 (0.71) CA12CA9CA1CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 US disclosed
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2010-02-25 US disclosed
WO-2009088549-A2 METHODS OF INHIBITING BACTERIAL VIRULENCE AND COMPOUNDS RELATING THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-07-16 WO disclosed
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 US disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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 (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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR CA12 4659/4885CA9 3088/4885CA1 3477/4885
US-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 CA12 3997/4885CA9 2894/4885CA1 1889/4885
US-20100048573-A1 Methods of Inhibiting Bacterial Virulence and Compounds Relating Thereto MMP8, SLC11A2, NFKBIA CA12 4360/4885CA9 2961/4885CA1 4431/4885

“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.