SCHEMBL2995058

SCHEMBL2995058

NC(=O)c1ccc(C(=O)N2CCCC(C(N)=O)C2)cc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.79
HSD17B10 Q99714 1/20 0.79
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
PIK3CA P42336 1/20 0.51
MTOR P42345 1/20 0.51
VNN1 O95497 1/20 0.50
GRM3 Q14832 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL2995061 0.90 GLA (0.77) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3589879 0.88 GLA (0.75) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3589877 0.88 GLA (0.75) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3315881 0.88 GLA (1.00) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3315877 0.88 GLA (1.00) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3315157 0.88 GLA (0.75) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3315160 0.88 GLA (0.75) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3319140 0.88 HSD17B10 (0.74) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL3319143 0.88 HSD17B10 (0.74) GLAHSD17B10RAB9AALDH1A1SMN1; SMN2
SCHEMBL5909045 0.87 GLA (0.72) GLAHSD17B10RAB9AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed

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-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GLA 1919/4885HSD17B10 2791/4885RAB9A 1982/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 GLA 1919/4885HSD17B10 2791/4885RAB9A 1982/4885

“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.