SCHEMBL15422786

SCHEMBL15422786

CS(=O)(=O)C(CCC(N)=O)c1cc(-c2ccccc2)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PTGS2 P35354 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39

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
SCHEMBL15422345 0.80 MMP2 (0.44) ALDH1A1PTGS2RAB9AKMT2ASMN1; SMN2
SCHEMBL10158 0.74 MMP9 (0.52) PTGS2MMP2MMP9
SCHEMBL15422784 0.74 NOTUM (0.48) ALDH1A1PTGS2RAB9AKMT2ASMN1; SMN2
SCHEMBL5861 0.68 FFAR1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4050309 0.67 CHRM2 (0.54) ALDH1A1PTGS2CHRM2CHRM1DRD1
SCHEMBL11804742 0.67 RAB9A (0.52) ALDH1A1PTGS2CHRM2CHRM1DRD1
SCHEMBL16088990 0.67 RAB9A (0.52) ALDH1A1PTGS2CHRM2CHRM1DRD1
SCHEMBL18974099 0.67 CHRM2 (0.54) ALDH1A1PTGS2CHRM2CHRM1DRD1
SCHEMBL1854386 0.67 L3MBTL1 (0.38) ALDH1A1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL20668990 0.67 CHRM2 (0.56) ALDH1A1CHRM2CHRM1DRD1SLC6A2

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-8748466-B2 Isoxazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-06-10 US disclosed
US-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-01-23 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-20140024690-A1 Isoxazole Derivatives Useful As Antibacterial Agents HAX1, PRXL2A, PRDX1 ALDH1A1 2868/4885PTGS2 870/4885CHRM2 4880/4885

“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.