SCHEMBL22976794

SCHEMBL22976794

N#CCC(O)COc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.53
▸ ADRB1 P08588 1/20 0.53
▸ ADRB3 P13945 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ GUSB P08236 1/20 0.46
▸ MAOB P27338 2/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL22976791 1.00 ADRB2 (0.53) ADRB2ADRB1ADRB3KMT2ASLC6A2
SCHEMBL22976871 0.85 KMT2A (0.58) ADRB2ADRB1ADRB3KMT2ASLC6A2
SCHEMBL21215918 0.85 KMT2A (0.58) ADRB2ADRB1ADRB3KMT2ASLC6A2
SCHEMBL12849131 0.84 KMT2A (0.56) ADRB2ADRB1ADRB3KMT2ASLC6A2
SCHEMBL16358433 0.84 ADRB2 (0.59) ADRB2ADRB1ADRB3KMT2ASLC6A2
SCHEMBL21216016 0.81 KMT2A (0.56) ADRB2ADRB1ADRB3KMT2ASLC6A2
SCHEMBL25119571 0.81 MAPT (0.56) ADRB2ADRB1ADRB3KMT2ASLC6A2
SCHEMBL21198582 0.80 PLA2G4B (0.56) LMNAMAPTALDH1A1NR4A1NR4A2
SCHEMBL21198583 0.80 PLA2G4B (0.56) LMNAMAPTALDH1A1NR4A1NR4A2
SCHEMBL20830746 0.79 KMT2A (0.61) ADRB2ADRB1ADRB3KMT2ASLC6A2

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-11453657-B2 Compounds for the treatment of parasitic infections GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-09-27 — — US disclosed
US-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-18 — — 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 (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-11453657-B2 Compounds for the treatment of parasitic infections PIGO, SGMS2, ABCB11 ADRB2 2729/4885ADRB1 2855/4885ADRB3 2160/4885
US-20210047299-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF PARASITIC INFECTIONS PIGO, ENPP2, THPO ADRB2 2811/4885ADRB1 2852/4885ADRB3 2435/4885

“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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