SCHEMBL189298

SCHEMBL189298

Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCOCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.72
HPGD P15428 3/20 0.72
TSHR P16473 3/20 0.72
PPARG P37231 1/20 0.72
NCOA2 Q15596 1/20 0.72
NCOA1 Q15788 1/20 0.72
MAPT P10636 12/20 0.70
HTT P42858 6/20 0.70
ALDH1A1 P00352 9/20 0.68
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
LMNA P02545 5/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
PIK3CA P42336 1/20 0.66
CFTR P13569 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
GAA P10253 4/20 0.57

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
SCHEMBL30514599 1.00 KDM4E (0.72) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL190236 0.90 KDM4E (0.71) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL188898 0.88 MAPT (0.72) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL189642 0.85 ALDH1A1 (0.83) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL24074827 0.84 KDM4E (1.00) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL30514598 0.84 KDM4E (1.00) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL27838813 0.80 PIK3CA (1.00) KDM4EHPGDMAPTALDH1A1MEN1
SCHEMBL189476 0.79 MAPT (0.84) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL15457559 0.79 ALDH1A1 (0.76) KDM4EHPGDTSHRPPARGNCOA2
SCHEMBL190020 0.78 MAPT (0.71) KDM4EHPGDTSHRPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP claimed
US-20230241074-A1 INHIBITORS OF PORCINE REPRODUCTIVE AND RESPIRATORY SYNDROME VIRUS Atomwise Inc. 2023-08-03 US disclosed
US-20230241074-A1 INHIBITORS OF PORCINE REPRODUCTIVE AND RESPIRATORY SYNDROME VIRUS Atomwise Inc. 2023-08-03 US disclosed
US-20230241074-A1 INHIBITORS OF PORCINE REPRODUCTIVE AND RESPIRATORY SYNDROME VIRUS Atomwise Inc. 2023-08-03 US disclosed
WO-2021243118-A1 INHIBITORS OF PORCINE REPRODUCTIVE AND RESPIRATORY SYNDROME VIRUS UNIVERSITY OF CONNECTICUT (US) 2021-12-02 WO disclosed
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 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 (4 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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885HPGD 2378/4885TSHR 2801/4885
US-20230241074-A1 INHIBITORS OF PORCINE REPRODUCTIVE AND RESPIRATORY SYNDROME VIRUS MAVS, PIGS, SARS1 KDM4E 3317/4885HPGD 2433/4885TSHR 3920/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 761/4885HPGD 2378/4885TSHR 2801/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KDM4E 729/4885HPGD 2180/4885TSHR 2458/4885

“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.