SCHEMBL769730

SCHEMBL769730

CC(Cc1ccc(Br)nc1)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP13 P45452 2/20 0.40
CYP11B1 P15538 1/20 0.36
CPB2 Q96IY4 3/20 0.35
PRSS1 P07477 1/20 0.33
TMPRSS15 P98073 1/20 0.33
PARP1 P09874 1/20 0.33
FDFT1 P37268 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
GRM2 Q14416 1/20 0.31
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CPA1 P15085 1/20 0.31

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
SCHEMBL769409 0.81 MMP2 (0.40) MMP2MMP9MMP8MMP13CYP11B1
SCHEMBL770167 0.81 ALDH1A1 (0.46)
SCHEMBL5144527 0.78 CYP11B1 (0.40) MMP2MMP9MMP8MMP13CYP11B1
SCHEMBL17051315 0.77 CYP11B1 (0.42) MMP2MMP9MMP8MMP13CYP11B1
SCHEMBL5499522 0.75 ABL1 (0.39) MMP2MMP9MMP8MMP13CYP11B1
SCHEMBL27801840 0.74 CYP11B1 (0.40) MMP2MMP9MMP8MMP13CYP11B1
SCHEMBL4053111 0.73 ALDH1A1 (0.41) MMP2MMP9MMP8MMP13CYP11B1
SCHEMBL5497689 0.73 TP53 (0.49) MMP2MMP9MMP8MMP13CYP11B1
SCHEMBL2072202 0.72 HSD17B10 (0.41) CYP11B1CPB2FDFT1
SCHEMBL2073432 0.72 HSD17B10 (0.57) CPB2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926274-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2018-03-27 US disclosed
EP-2650283-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
EP-2650282-B1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO (JP) 2017-06-07 EP disclosed
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2015-05-21 US disclosed
US-9000156-B2 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2015-04-07 US disclosed
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-30 US disclosed
EP-2141149-B1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO (JP) 2014-10-29 EP disclosed
EP-2650283-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
EP-2650282-A1 Process for producing substituted methylamine compound and triazine derivative NIPPON SODA CO., LTD. (JP) 2013-10-16 EP disclosed
US-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2012-03-22 US disclosed
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 2010-05-13 US disclosed
EP-2141149-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE Nippon Soda Co., Ltd. (JP) 2010-01-06 EP 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-20120071656-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT MMP2 663/4885MMP9 1417/4885MMP8 4158/4885
US-20140323724-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT MMP2 663/4885MMP9 1417/4885MMP8 4158/4885
US-20150141653-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT MMP2 663/4885MMP9 1417/4885MMP8 4158/4885
US-20100121054-A1 PROCESS FOR PRODUCING SUBSTITUTED METHYLAMINE COMPOUND AND TRIAZINE DERIVATIVE INMT, BHMT2, HNMT MMP2 787/4885MMP9 1666/4885MMP8 4382/4885

“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.