SCHEMBL16896758

SCHEMBL16896758

CC(C(N)=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
MMP8 P22894 4/20 0.45
MMP12 P39900 4/20 0.45
MMP13 P45452 4/20 0.45
MMP14 P50281 4/20 0.45
MMP16 P51512 4/20 0.45
MMP1 P03956 2/20 0.45
CXCL8 P10145 1/20 0.44
MMP3 P08254 3/20 0.41
SLC9A1 P19634 4/20 0.40
SLC9A2 Q9UBY0 1/20 0.40
BCAT2 O15382 1/20 0.39
EPHX1 P07099 1/20 0.39
MPO P05164 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2208256 0.84 MMP2 (0.62) MMP2MMP9MMP8MMP12MMP13
SCHEMBL1882671 0.81 MMP2 (0.64) MMP2MMP9MMP8MMP12MMP13
SCHEMBL9321170 0.80 CXCL8 (0.54) CXCL8EPHX1CYP3A4CYP2D6SLC6A2
SCHEMBL5140208 0.77 L3MBTL1 (0.40) MMP2MMP9MMP8MMP12MMP13
SCHEMBL28748849 0.77 HTR2A (0.49) MMP2MMP9MMP8MMP12MMP13
SCHEMBL1106525 0.77 L3MBTL1 (0.52) MMP2MMP9MMP8MMP12MMP13
SCHEMBL16316789 0.75 CYP3A4 (0.43) MMP2MMP9MMP8MMP12MMP13
SCHEMBL5673731 0.75 L3MBTL1 (0.65) CXCL8L3MBTL1
SCHEMBL966543 0.75 L3MBTL1 (0.65) CXCL8L3MBTL1
SCHEMBL16896807 0.73 CES2 (0.37) SLC9A1SLC9A2LOX

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-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2023-10-26 US disclosed
US-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
EP-3091970-A1 LXR AGONISTS AND USES THEREOF Rgenix, Inc. (US) 2016-11-16 EP disclosed
WO-2015106164-A1 LXR AGONISTS AND USES THEREOF RGENIX, INC. (US) 2015-07-16 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 (3 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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 MMP2 4155/4885MMP9 3050/4885MMP8 834/4885
US-20230338314-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 MMP2 4155/4885MMP9 3050/4885MMP8 834/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 MMP2 4155/4885MMP9 3050/4885MMP8 834/4885

“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.