SCHEMBL14403442

SCHEMBL14403442

N[C@@H](CS)C(=O)SCCS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP13 P45452 2/20 0.39
MMP3 P08254 2/20 0.38
MMP8 P22894 1/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL5466704 0.77 HSD11B1 (0.50) HSD11B1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL7829202 0.73 HSD11B1 (0.50) HSD11B1ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL14403400 0.70 HDAC3 (0.46) ALDH1A1MAPTMEN1KMT2AMMP2
SCHEMBL2870934 0.69 PSIP1 (0.54) HSD11B1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL6803055 0.67 HSD11B1 (0.50) HSD11B1ALDH1A1LMNAL3MBTL1MMP13
SCHEMBL4230082 0.67 PTGS1 (0.44)
SCHEMBL14403403 0.67 MMP2 (0.49) MMP2
SCHEMBL1540593 0.66 PSIP1 (0.56) HSD11B1MAPTL3MBTL1MEN1KMT2A
SCHEMBL1722036 0.66 PSIP1 (0.56) HSD11B1MAPTL3MBTL1MEN1KMT2A
SCHEMBL9064967 0.66 KYNU (0.65) HSD11B1MMP13LARS1PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070248581-A1 MGRA IS A REDOX REGULATOR OF ANTIBIOTIC SENSITIVITY AND VIRULENCE THE UNIVERSITY OF CHICAGO 2007-10-25 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-20070248581-A1 MGRA IS A REDOX REGULATOR OF ANTIBIOTIC SENSITIVITY AND VIRULENCE GFER, GLRX3, PRDX3 HSD11B1 2834/4885ALDH1A1 3399/4885LMNA 4865/4885

“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.