SCHEMBL7079082

SCHEMBL7079082

CC(C)C(CSc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
FCER2 P06734 1/20 0.47
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SRD5A2 P31213 1/20 0.41
MAPK1 P28482 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 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
SCHEMBL6053554 0.79 GRIK1 (0.48) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6053553 0.79 GRIK1 (0.48) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL7075420 0.78 MTNR1A (0.41) MMP1KMT2AMEN1ALDH1A1MMP2
SCHEMBL7350809 0.77 MAPT (0.43) MMP1FCER2TDP1MAPTKMT2A
SCHEMBL27542110 0.76 ACE (0.49) MMP1FCER2MAPTKMT2ALMNA
SCHEMBL28910863 0.76 ACE (0.49) MMP1FCER2MAPTKMT2ALMNA
SCHEMBL14368887 0.76 ALDH1A1 (0.47) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL7075160 0.76 MTNR1A (0.47) LMNAALDH1A1MMP2SMN1; SMN2NPC1
SCHEMBL7350798 0.75 MAPT (0.44) MMP1FCER2TDP1MAPTKMT2A
SCHEMBL8746690 0.75 MAPT (0.44) MMP1FCER2TDP1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 US 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 (1 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 MMP1 16/4885FCER2 2188/4885TDP1 2654/4885

“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.