SCHEMBL16639849

SCHEMBL16639849

Cn1c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.75
LMNA P02545 1/20 0.74
MAPT P10636 4/20 0.72
POLB P06746 4/20 0.67
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
MEN1 O00255 2/20 0.61
PPARG P37231 2/20 0.61
KMT2A Q03164 2/20 0.61
NCOA2 Q15596 2/20 0.61
NCOA1 Q15788 2/20 0.61
NCOA3 Q9Y6Q9 2/20 0.61
PLEC Q15149 1/20 0.61
THRB P10828 2/20 0.60
PRNP P04156 1/20 0.60
RECQL P46063 1/20 0.60
NAMPT P43490 1/20 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
SCHEMBL16639780 0.87 TP53 (0.77) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL4112508 0.80 MEN1 (0.76) TP53LMNAPOLBALDH1A1KDM4E
SCHEMBL31562905 0.80 ALDH1A1 (0.59) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL16644246 0.78 TP53 (0.74) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL1156395 0.78 TP53 (0.65) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL27312618 0.78 ALDH1A1 (0.88) TP53LMNAPOLBALDH1A1KDM4E
SCHEMBL15969432 0.77 MEN1 (0.55) TP53LMNAMAPTALDH1A1KDM4E
SCHEMBL16644162 0.77 TP53 (0.72) TP53MAPTALDH1A1MEN1KMT2A
SCHEMBL16639802 0.77 NAMPT (0.75) TP53MAPTALDH1A1KMT2ANAMPT
SCHEMBL10293253 0.77 TP53 (0.66) TP53LMNAMAPTPOLBALDH1A1

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 3 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
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 1915/4885LMNA 3203/4885MAPT 1118/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS TP53 2268/4885LMNA 3476/4885MAPT 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.