SCHEMBL16639756

SCHEMBL16639756

CC(C)c1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
XBP1 P17861 1/20 0.60
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPK1 P28482 1/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NAMPT P43490 4/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
F2 P00734 1/20 0.51
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL16639773 0.88 ALDH1A1 (0.62) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL16639794 0.86 ALDH1A1 (0.62) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL16644187 0.84 NAMPT (0.53) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL16644186 0.80 TP53 (0.51) ALDH1A1ALOX15SMN1; SMN2HSD17B10LMNA
SCHEMBL16639792 0.79 ALDH1A1 (0.61) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL15246489 0.77 HTT (0.66) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL15246471 0.76 SMN1; SMN2 (0.58) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL16644215 0.76 F2 (0.58) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPK1
SCHEMBL16644185 0.75 KMT2A (0.57) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL8308787 0.75 ALDH1A1 (0.79) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10

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 ALDH1A1 2853/4885XBP1 1421/4885ALOX15 230/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS ALDH1A1 2737/4885XBP1 957/4885ALOX15 228/4885

“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.