SCHEMBL3255294

SCHEMBL3255294

O=S(=O)(Cl)c1ccc(-c2ccc3c(c2)OCO3)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TNKS O95271 1/20 0.45
KIF11 P52732 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
BRAF P15056 1/20 0.44
PTGS2 P35354 6/20 0.43
PTGS1 P23219 3/20 0.43
PTPRC P08575 1/20 0.42
MMP13 P45452 1/20 0.42
TP53 P04637 3/20 0.42

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
SCHEMBL14569162 0.85 PTGS2 (0.52) CA12CA2CA9KDM4EMAPT
SCHEMBL3257925 0.73 RPA1 (0.41) KDM4EHPGDALDH1A1PTGS2PTGS1
SCHEMBL30175852 0.73 ABCB1 (0.54) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1116261 0.72 PIK3CA (0.59) CA12CA2CA9KDM4EMAPT
SCHEMBL17055811 0.70 KDM4E (0.50) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6970319 0.70 ALDH1A1 (0.43) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL29437166 0.70 CA12 (0.54) CA12CA2CA9MAPTNPC1
SCHEMBL560493 0.70 CA12 (0.54) CA12CA2CA9MAPTNPC1
SCHEMBL7347251 0.70 ALDH1A1 (0.43) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3257678 0.69 KIF11 (0.47) CA12CA2CA9KDM4EMAPT

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
EP-1373262-B1 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS NOVARTIS AG (CH) 2010-05-12 EP disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives FUJIMOTO ROGER AKI (US) 2004-11-25 US disclosed
EP-1373262-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS Novartis AG (CH) 2004-01-02 EP disclosed
WO-2002072577-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS. NOVARTIS AG (CH) 2002-09-19 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-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 CA12 171/4885CA2 64/4885CA9 36/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 CA12 336/4885CA2 77/4885CA9 39/4885

“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.