SCHEMBL18136586

SCHEMBL18136586

O=C(NCc1cccc(S(=O)(=O)O)c1)c1ccc(C(=O)NCc2cccc(S(=O)(=O)O)c2)c(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NCc4cccc(S(=O)(=O)O)c4)ccc3C(=O)NCc3cccc(S(=O)(=O)O)c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ CA2 P00918 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CXCR3 P49682 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CHRM3 P20309 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL25677919 0.78 CA2 (0.51) ALDH1A1GAAHSD17B10HTTKMT2A
SCHEMBL25678287 0.74 ALDH1A1 (0.47) ALDH1A1GAAHSD17B10HTTKMT2A
SCHEMBL25677914 0.71 HPGDS (0.46) ALDH1A1GAAHSD17B10HTTCA2
SCHEMBL7403097 0.71 PPARG (0.51) ALDH1A1HSD17B10KMT2AITGA4ITGB7
Hydrochloric Acid SCHEMBL27563726 0.70 CA1 (0.56) ALDH1A1GAAHSD17B10HTTKMT2A
SCHEMBL25678196 0.68 NPC1 (0.44) ALDH1A1GAAHSD17B10HTTROCK2
SCHEMBL5682928 0.68 HTT (0.66) ALDH1A1GAAHSD17B10HTTCA2
SCHEMBL5681701 0.68 HTT (0.87) ALDH1A1GAAHSD17B10HTTPOLB
SCHEMBL11900633 0.67 KMT2A (0.65) ALDH1A1GAAHSD17B10KMT2ANR1H4
SCHEMBL9698029 0.66 TSHR (0.47) ALDH1A1GAAHSD17B10MAPT

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-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 — — 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-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 ALDH1A1 2630/4885GAA 1289/4885HSD17B10 2943/4885

“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.

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