SCHEMBL16639794

SCHEMBL16639794

O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(Cl)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
XBP1 P17861 1/20 0.62
ALOX15 P16050 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
NAMPT P43490 4/20 0.54
F2 P00734 1/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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 0.89 ALDH1A1 (0.62) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL16639756 0.86 ALDH1A1 (0.60) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL16639792 0.80 ALDH1A1 (0.61) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL22166428 0.79 NAMPT (0.61) ALDH1A1MAPK1LMNAMEN1KMT2A
SCHEMBL15246471 0.79 SMN1; SMN2 (0.58) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL15246489 0.77 HTT (0.66) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL16644185 0.77 KMT2A (0.57) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL8308787 0.77 ALDH1A1 (0.79) ALDH1A1XBP1ALOX15SMN1; SMN2HSD17B10
SCHEMBL28519856 0.76 KMT2A (0.70) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL16639803 0.75 NAMPT (0.75) ALDH1A1ALOX15SMN1; SMN2HSD17B10MAPK1

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.