SCHEMBL5861

SCHEMBL5861

CS(=O)(=O)C(CCC(N)=O)c1ccc(OCc2nc(-c3ccccc3)no2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MAPK1 P28482 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 3/20 0.51
GSTP1 P09211 3/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL11944 0.90 MAPT (0.53) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL5949 0.84 FFAR1 (0.38) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL11328 0.80 SRC (0.41) FFAR1SMN1; SMN2MAPT
SCHEMBL5859 0.79 FFAR1 (0.64) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL11899995 0.77 PARP10 (0.48) RAB9ANPC1SMN1; SMN2TDP1MAPT
SCHEMBL10158 0.75 MMP9 (0.52) FFAR1
SCHEMBL10690 0.75 CYSLTR1 (0.54) FFAR1
SCHEMBL6110 0.74 ADAM17 (0.49) FFAR1MAPTTSHR
SCHEMBL5798 0.73 CYP27B1 (0.46)
SCHEMBL11898794 0.72 ADAMTS4 (0.47) RAB9ASMN1; SMN2

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-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
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT FFAR1 1313/4885RAB9A 3132/4885NPC1 3521/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A FFAR1 2319/4885RAB9A 3743/4885NPC1 2183/4885

“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.