SCHEMBL3087883

SCHEMBL3087883

CC(C(=O)O)(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.61
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PTPN5 P54829 1/20 0.47
KMT2A Q03164 2/20 0.47
KIF11 P52732 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTGS2 P35354 1/20 0.44
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9986285 0.93 CYP2C9 (0.50) CYP2C9MAPTSMN1; SMN2PTPN5KMT2A
SCHEMBL1560417 0.86 MAPT (0.54) CYP2C9MAPTKMT2ATSHRKDM4E
SCHEMBL28315787 0.84 KMT2A (0.52) CYP2C9MAPTKMT2ANPC1RAB9A
SCHEMBL21269958 0.84 MAPT (0.52) CYP2C9MAPTKMT2ATSHRKDM4E
SCHEMBL21269860 0.84 MAPT (0.52) CYP2C9MAPTKMT2ATSHRKDM4E
SCHEMBL28314292 0.84 MAPT (0.52) CYP2C9MAPTKMT2ATSHRKDM4E
SCHEMBL21269891 0.84 MAPT (0.52) CYP2C9MAPTKMT2ATSHRKDM4E
SCHEMBL28315718 0.84 MAPT (0.52) CYP2C9MAPTKMT2ATSHRKDM4E
SCHEMBL1679690 0.83 CYP2C9 (0.61) CYP2C9MAPTSMN1; SMN2PTPN5KMT2A
SCHEMBL28315679 0.82 MAPT (0.50) CYP2C9MAPTKMT2ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed
US-6548667-B2 For prevention and treatment of diseases caused by overexpression and overactivation of matrix metalloproteinase SAMSUNG ELECTRONICS CO. LTD. (KR) 2003-04-15 US disclosed
EP-1208092-A4 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO LTD (KR) 2003-01-02 EP disclosed
US-20020169314-A1 Sulfonamide derivative as a matrix metalloproteinase inhibitor SAMSUNG ELECTRONICS CO. LTD. (KR) 2002-11-14 US disclosed
EP-1208092-A1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2002-05-29 EP disclosed
WO-2001077092-A1 SULFONAMIDE DERIVATIVE AS A MATRIX METALLOPROTEINASE INHIBITOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2001-10-18 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 (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-20020169314-A1 Sulfonamide derivative as a matrix metalloproteinase inhibitor MMP9, MMP3, MMP14 CYP2C9 874/4885MAPT 4046/4885SMN1; SMN2 654/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 CYP2C9 1196/4885MAPT 2813/4885SMN1; SMN2 2844/4885

“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.