SCHEMBL22110467

SCHEMBL22110467

CC(C)Cc1ccc2cc(CCC(N)=O)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.47
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ S1PR1 P21453 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ MET P08581 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL22110675 0.84 GRM1 (0.46) DPP4HCAR2CYP1A2KDM4ENPC1
SCHEMBL22110519 0.80 MET (0.40) DPP4TSHRMAPK1S1PR1MET
SCHEMBL28005364 0.79 HCAR2 (0.55) DPP4HCAR2CYP1A2KDM4ENPC1
SCHEMBL22095064 0.79 CYSLTR1 (0.40) CYP1A2CYSLTR2CYSLTR1
SCHEMBL22110469 0.78 PDE3B (0.38) DPP4HCAR2METKDRFFAR4
SCHEMBL22095157 0.78 DPP4 (0.46) DPP4TSHRMAPK1CYP1A2CYP3A4
SCHEMBL22095069 0.78 PDE3B (0.54) MAPK1HCAR2CYP1A2KDM4ENPC1
SCHEMBL22095235 0.76 PDE10A (0.37) CYP1A2KDM4ECYP3A4MAPT
SCHEMBL22095162 0.74 TSHR (0.38) DPP4TSHRMAPK1FFAR4CYP1A2
SCHEMBL22095165 0.73 GRIN2D (0.47) DPP4MAPK1GRIN2DGRIN2AGRIN2B

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-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-01-27 — — US disclosed
WO-2020123482-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-06-18 — — WO 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-20220024876-A1 SMALL MOLECULE INHIBITION OF SULFOTRANSFERASE SULT1A3 SULT1A1, SULT2A1, SULT1E1 DPP4 3300/4885TSHR 3090/4885MAPK1 3879/4885

“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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