SCHEMBL5050834

SCHEMBL5050834

COCCN1c2ccc(S(C)(=O)=O)cc2SC1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GLA P06280 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MDM2 Q00987 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ EP300 Q09472 1/20 0.31

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
SCHEMBL3387264 0.82 ALDH1A1 (0.40) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL3386305 0.79 BCHE (0.41) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5044112 0.78 KDM4E (0.35) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL5047390 0.75 ALDH1A1 (0.40) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL27763448 0.69 BRD4 (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL11326295 0.65 SMN1; SMN2 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL3918304 0.62 ALDH1A1 (0.36) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL210764 0.62 LMNA (0.36) DRD2HRH1DRD3TDP1
SCHEMBL3419179 0.62 KDM4E (0.33) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5047349 0.60 ALDH1A1 (0.34) KDM4EALDH1A1GAAHPGDSMN1; 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
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 — — EP disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 — — 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-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 DRD2 311/4885HRH1 103/4885DRD3 387/4885

“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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