SCHEMBL16639773

SCHEMBL16639773

Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
XBP1 P17861 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 2/20 0.58
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
NAMPT P43490 2/20 0.54
ATM Q13315 1/20 0.54
USP2 O75604 1/20 0.54
FGB P02675 1/20 0.54

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
SCHEMBL16639792 0.91 ALDH1A1 (0.61) ALDH1A1XBP1SMN1; SMN2ALOX15HSD17B10
SCHEMBL16639794 0.89 ALDH1A1 (0.62) ALDH1A1XBP1SMN1; SMN2ALOX15HSD17B10
SCHEMBL16639756 0.88 ALDH1A1 (0.60) ALDH1A1XBP1SMN1; SMN2ALOX15HSD17B10
SCHEMBL16639785 0.81 GAA (0.55) ALDH1A1TP53MAPTMEN1KMT2A
SCHEMBL15246489 0.81 HTT (0.66) ALDH1A1XBP1SMN1; SMN2ALOX15HSD17B10
SCHEMBL16644189 0.80 TP53 (0.53) ALDH1A1SMN1; SMN2ALOX15HSD17B10LMNA
SCHEMBL16644184 0.79 HPGD (0.64) ALDH1A1SMN1; SMN2ALOX15HSD17B10LMNA
SCHEMBL16644241 0.79 TP53 (0.58) ALDH1A1XBP1SMN1; SMN2ALOX15HSD17B10
SCHEMBL15246471 0.79 SMN1; SMN2 (0.58) ALDH1A1XBP1SMN1; SMN2ALOX15HSD17B10
SCHEMBL15246331 0.77 LMNA (0.64) ALDH1A1XBP1SMN1; SMN2ALOX15HSD17B10

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 1421/4885SMN1; SMN2 346/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS ALDH1A1 2737/4885XBP1 957/4885SMN1; SMN2 616/4885

“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.