SCHEMBL22601462

SCHEMBL22601462

CC(C)(C)c1cc(S(=O)(=O)N2CCOCC2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.60
▸ HTT P42858 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ HSD17B10 Q99714 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47

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
SCHEMBL22601463 0.85 LMNA (0.56) KDM4EHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL17808299 0.76 ALDH1A1 (0.58) KDM4EHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL10145044 0.75 ALDH1A1 (0.62) KDM4EHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL13438728 0.74 SMN1; SMN2 (0.62) KDM4EALDH1A1SMN1; SMN2TSHRPOLB
SCHEMBL12169381 0.74 LMNA (0.71) KDM4EALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL12606990 0.74 KDR (0.48) KDM4EHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL20224125 0.73 LMNA (0.45) KDM4EHTTALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12793245 0.72 POLB (0.88) KDM4EHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL10306750 0.72 POLB (0.73) KDM4EHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL171151 0.72 POLB (0.73) KDM4EHTTALDH1A1SMN1; SMN2TSHR

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 — — 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 KDM4E 1971/4885HTT 3918/4885ALDH1A1 1908/4885

“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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