SCHEMBL2960166

SCHEMBL2960166

O=C(O)C1CC2CCCC2N1S(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
UQCRB P14927 2/20 0.45
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
LMNA P02545 2/20 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
SCHEMBL8319058 1.00 HSD17B10 (0.46) HSD17B10UQCRBALDH1A1KMT2AMEN1
SCHEMBL8319435 0.88 MMP2 (0.48) ALDH1A1GAAATMLMNAMMP2
SCHEMBL2960613 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAAATM
SCHEMBL8320604 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAAATM
SCHEMBL13201300 0.86 LMNA (0.53) ALDH1A1KMT2AMEN1ATMLMNA
SCHEMBL2969347 0.86 LMNA (0.53) ALDH1A1KMT2AMEN1ATMLMNA
SCHEMBL8327363 0.85 MMP2 (0.48) ALDH1A1GAAMMP2MMP9CA12
SCHEMBL6204311 0.85 HSD17B10 (0.43) HSD17B10UQCRBALDH1A1KMT2AMEN1
SCHEMBL8319712 0.84 ATM (0.51) ALDH1A1KMT2AMEN1ATMLMNA
SCHEMBL2961185 0.84 ATM (0.51) ALDH1A1KMT2AMEN1ATMLMNA

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-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-09 US disclosed
EP-1585728-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES Aventis Pharma Deutschland GmbH (DE) 2005-10-19 EP disclosed
US-20050004166-A1 Imino acid derivatives as inhibitors of matrix metalloproteinases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 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-20050004166-A1 Imino acid derivatives as inhibitors of matrix metalloproteinases MMP9, MMP1, MMP25 HSD17B10 1148/4885UQCRB 2021/4885ALDH1A1 160/4885
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 HSD17B10 683/4885UQCRB 746/4885ALDH1A1 155/4885

“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.