SCHEMBL17022397

SCHEMBL17022397

Cc1ccc(S(=O)(=O)O)c(CCOCCOCCOCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.40
PTGS1 P23219 1/20 0.40
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
AMY1A P0DUB6 1/20 0.31
MEP1B Q16820 2/20 0.31
FBP1 P09467 1/20 0.31
APP P05067 2/20 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
SCHEMBL18044479 1.00 PTGS2 (0.40) PTGS2PTGS1HSD17B10LMNAUSP2
SCHEMBL27206706 1.00 PTGS2 (0.40) PTGS2PTGS1HSD17B10LMNAUSP2
SCHEMBL28404512 1.00 PTGS2 (0.40) PTGS2PTGS1HSD17B10LMNAUSP2
SCHEMBL23212122 0.99 PTGS2 (0.41) PTGS2PTGS1HSD17B10LMNAUSP2
SCHEMBL516227 0.94 TAAR1 (0.36) PTGS2PTGS1HSD17B10LMNAGAA
SCHEMBL29488092 0.94 TAAR1 (0.36) PTGS2PTGS1HSD17B10LMNAGAA
SCHEMBL478439 0.94 TAAR1 (0.36) PTGS2PTGS1HSD17B10LMNAGAA
SCHEMBL29790344 0.94 TAAR1 (0.36) PTGS2PTGS1HSD17B10LMNAGAA
SCHEMBL1648239 0.93 GAA (0.36) PTGS2PTGS1HSD17B10GAATAAR1
SCHEMBL600568 0.90 PTGS2 (0.35) PTGS2PTGS1HSD17B10LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10729782-B2 Antibody-drug conjugate produced by binding through linker having hydrophilic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-08-04 US disclosed
EP-2910573-B1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO CO LTD (JP) 2020-02-19 EP disclosed
US-20180071403-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-03-15 US disclosed
US-9872924-B2 Antibody-drug conjugate produced by binding through linker having hydrophilic structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-01-23 US disclosed
EP-2910573-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-26 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 (2 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-10729782-B2 Antibody-drug conjugate produced by binding through linker having hydrophilic structure LANCL2, TLL1, LANCL1 PTGS2 3486/4885PTGS1 2828/4885HSD17B10 2009/4885
US-20180071403-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE LANCL2, TLL1, LANCL1 PTGS2 3486/4885PTGS1 2828/4885HSD17B10 2009/4885

“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.