SCHEMBL20408698

SCHEMBL20408698

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(C(=O)OC(C)C(F)(F)F)CC2)c(C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 1/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FABP4 P15090 2/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ FABP5 Q01469 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ PLAU P00749 2/20 0.37
▸ PLAT P00750 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL15100634 0.91 DPP8 (0.48) DPP8EPHX2ALDH1A1MEN1MAPK1
SCHEMBL20411216 0.88 DPP8 (0.46) DPP8EPHX2ALDH1A1MEN1MAPK1
SCHEMBL15100620 0.80 KMT2A (0.52) ALDH1A1MEN1MAPK1KMT2AMAPT
SCHEMBL18634074 0.79 EPHX2 (0.41) DPP8EPHX2ALDH1A1MEN1MAPK1
SCHEMBL20198109 0.79 DPP8 (0.43) DPP8EPHX2ALDH1A1MEN1MAPK1
SCHEMBL22365041 0.79 EPHX2 (0.41) DPP8EPHX2ALDH1A1MEN1MAPK1
SCHEMBL20408695 0.76 GAA (0.56) ALDH1A1KMT2ASMN1; SMN2GAALMNA
SCHEMBL20408703 0.76 PKM (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL20408697 0.75 KMT2A (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL30754649 0.75 DPP8 (0.60) DPP8EPHX2ALDH1A1MEN1MAPK1

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-20180208568-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2018-07-26 — — 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-20180208568-A1 CARBAMATE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, NCEH1 DPP8 521/4885EPHX2 500/4885ALDH1A1 1712/4885

“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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