SCHEMBL16136707

SCHEMBL16136707

CCC(C[C@](C)(C(=O)O)S(C)(=O)=O)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRIA4 P48058 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC6A2 P23975 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PKM P14618 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10097 0.85 ESR1 (0.41) HDAC8HDAC6CYP1A2SLC6A2MMP12
SCHEMBL5807 0.79 F2 (0.40)
SCHEMBL11889 0.77 POLB (0.41) PKM
SCHEMBL5511 0.76 CASP1 (0.32) SLC6A2MMP12MMP13
SCHEMBL15957862 0.73 HDAC8 (0.44) HDAC8HDAC6GRIA4CYP2C9HSD17B10
SCHEMBL13383171 0.72 CYP1A2 (0.38) FPR2HDAC8HDAC6GRIA4CYP1A2
SCHEMBL21773927 0.72 FFAR1 (0.52) HDAC8HDAC6CYP1A2CYP2C9
SCHEMBL21773925 0.72 FFAR1 (0.52) HDAC8HDAC6CYP1A2CYP2C9
SCHEMBL5656 0.70 SLC6A2 (0.58) SLC6A2MMP12MMP13
SCHEMBL10999 0.70 SLC6A2 (0.58) SLC6A2MMP12MMP13

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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 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-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A FPR2 841/4885HDAC8 67/4885HDAC6 142/4885

“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.