SCHEMBL16644162

SCHEMBL16644162

Cn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.72
THRB P10828 1/20 0.72
MAPT P10636 4/20 0.67
GAA P10253 2/20 0.61
ALDH1A1 P00352 4/20 0.60
F2 P00734 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58

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
SCHEMBL16644246 0.99 TP53 (0.74) TP53THRBMAPTGAAALDH1A1
SCHEMBL16644176 0.85 ALDH1A1 (0.55) TP53THRBMAPTGAAALDH1A1
SCHEMBL15246121 0.79 F2 (0.71) TP53MAPTALDH1A1F2SMN1; SMN2
SCHEMBL16639849 0.77 TP53 (0.75) TP53THRBMAPTALDH1A1MEN1
SCHEMBL27312618 0.77 ALDH1A1 (0.88) TP53GAAALDH1A1
SCHEMBL15969432 0.77 MEN1 (0.55) TP53THRBMAPTALDH1A1MEN1
SCHEMBL16644215 0.77 F2 (0.58) TP53MAPTALDH1A1F2SMN1; SMN2
SCHEMBL15246477 0.77 ALDH1A1 (0.60) TP53THRBMAPTALDH1A1MEN1
SCHEMBL9158553 0.75 NR4A2 (0.63) TP53MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL18038950 0.75 TP53 (0.52) TP53THRBMAPTGAAALDH1A1

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-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates Valo Health, LLC 2020-06-30 US disclosed
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES VALO HEALTH, INC. 2015-04-16 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 (2 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-10696692-B2 Amido-benzyl sulfone and sulfoxide derivates STS, SQOR, SULT1E1 TP53 1915/4885THRB 2880/4885MAPT 1118/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS TP53 2268/4885THRB 3170/4885MAPT 2018/4885

“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.