SCHEMBL30729958

SCHEMBL30729958

O=S(=O)(Cl)c1c[nH]c2cc(C3CC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 9/20 0.43
▸ PRKAG1 P54619 9/20 0.43
▸ PRKAA2 P54646 9/20 0.43
▸ PRKAA1 Q13131 9/20 0.43
▸ PRKAG3 Q9UGI9 9/20 0.43
▸ PRKAG2 Q9UGJ0 9/20 0.43
▸ PRKAB1 Q9Y478 9/20 0.43
▸ HTR1D P28221 2/20 0.39
▸ AVPR1A P37288 1/20 0.35
▸ SLC6A4 P31645 3/20 0.34
▸ DGAT1 O75907 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ WDR5 P61964 1/20 0.32

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
SCHEMBL20354803 1.00 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17850497 0.76 GPR84 (0.51) SLC6A4
SCHEMBL30684580 0.76 GPR84 (0.51) SLC6A4
SCHEMBL21569505 0.75 SMN1; SMN2 (0.49) —
SCHEMBL20355068 0.74 GPR84 (0.50) —
SCHEMBL20339031 0.74 CYP2A6 (0.51) SLC6A4
SCHEMBL20354730 0.74 MEN1 (0.47) —
SCHEMBL20339112 0.73 SLC22A12 (0.40) SLC6A4
SCHEMBL21569506 0.73 TRIM24 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL26776418 0.72 PARP15 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 — — 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-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES GPR17, GPR27, GPR119 PRKAB2 1381/4885PRKAG1 1344/4885PRKAA2 3974/4885

“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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