Esonarimod

Esonarimod

SCHEMBL18309833

CC(=O)SC[C@H](CC(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MMP2 P08253 3/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ MMP9 P14780 3/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HDAC3 O15379 4/20 0.43

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
Esonarimod SCHEMBL3044466 1.00 KMT2A (0.52) KMT2AALDH1A1MAPTLMNATSHR
SCHEMBL6926783 0.89 NPC1 (0.52) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL10645386 0.88 TSHR (0.66) KMT2AALDH1A1MAPTLMNATSHR
SCHEMBL10645709 0.87 KMT2A (0.51) KMT2AALDH1A1MAPTLMNATSHR
SCHEMBL8775813 0.79 TSHR (0.61) KMT2AALDH1A1MAPTLMNATSHR
SCHEMBL7435690 0.78 CYP1A2 (0.46) CPB2
SCHEMBL6370484 0.78 TSHR (0.55) KMT2AALDH1A1MAPTLMNATSHR
SCHEMBL10647623 0.75 KMT2A (0.73) KMT2AALDH1A1MAPTLMNATSHR
SCHEMBL10917889 0.75 ALDH1A1 (0.72) KMT2AALDH1A1MAPTLMNAMEN1
SCHEMBL19642670 0.75 ALDH1A1 (0.62) KMT2AALDH1A1MAPTLMNATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016201354-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GLOBAVIR BIOSCIENCES, INC. (US) 2016-12-15 — — WO disclosed
US-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GLOBAVIR BIOSCIENCES, INC. 2016-12-15 — — US disclosed
US-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER GLOBAVIR BIOSCIENCES, INC. 2016-12-15 — — 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-20160361298-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER IDO2, IDO1, TDO2 KMT2A 1052/4885ALDH1A1 977/4885MAPT 3163/4885

“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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