SCHEMBL3480225

SCHEMBL3480225

CCOC(=O)c1ccc(OCCCCl)c(OCCCCl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.54
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
POLB P06746 3/20 0.48
CASP6 P55212 1/20 0.48
ESR2 Q92731 2/20 0.47
ESR1 P03372 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
NPC1 O15118 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
SCHEMBL6401723 0.93 HSD17B2 (0.61) HSD17B2POLBALDH1A1LMNANPC1
SCHEMBL10102465 0.90 CA12 (0.50) HSD17B2CA12CA1CA2CA7
SCHEMBL8358255 0.89 CYP1A2 (0.55) HSD17B2CA12CA1CA2CA7
SCHEMBL27532264 0.89 HSD17B2 (0.47) HSD17B2CA12CA1CA2CA7
SCHEMBL1199891 0.88 SMPD1 (0.56) HSD17B2CA12CA1CA2CA7
SCHEMBL300248 0.88 HSD17B2 (0.54) HSD17B2CA12CA1CA2CA7
SCHEMBL1715159 0.87 THRA (0.48) HSD17B2CA12CA1CA2CA7
SCHEMBL3480129 0.87 HSD17B2 (0.52) HSD17B2CA12CA1CA2CA7
SCHEMBL1201551 0.87 SMPD1 (0.58) HSD17B2ESR1ALDH1A1NPC1RAB9A
SCHEMBL1011945 0.85 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7

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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE 92229129 QUEBEC INC. (CA) 2010-12-16 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-20100317625-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MGAM, BPGM, PPME1 HSD17B2 2930/4885CA12 4357/4885CA1 4284/4885

“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.