SCHEMBL16639779

SCHEMBL16639779

Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)oc2c(F)cccc12

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
HTT P42858 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
USP2 O75604 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL16639798 0.85 SMN1; SMN2 (0.78) SMN1; SMN2HTTNPSR1USP2TDP1
SCHEMBL16639754 0.79 SMN1; SMN2 (0.80) SMN1; SMN2HTTNPSR1USP2TDP1
SCHEMBL10260221 0.79 SMN1; SMN2 (0.86) SMN1; SMN2HTTNPSR1USP2TDP1
SCHEMBL16639784 0.77 NAMPT (0.65) SMN1; SMN2HTTNPSR1ALOX15HSD17B10
SCHEMBL16639787 0.74 SMN1; SMN2 (0.55) SMN1; SMN2HTTNPSR1ALOX15HSD17B10
SCHEMBL16639752 0.74 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPSR1USP2HSD17B10
SCHEMBL16639799 0.73 SMN1; SMN2 (0.61) SMN1; SMN2HTTNPSR1USP2TDP1
SCHEMBL16639765 0.72 NAMPT (0.62) SMN1; SMN2HTTNPSR1ALOX15HSD17B10
SCHEMBL16639791 0.71 ALOX15 (0.50) SMN1; SMN2ALOX15HSD17B10LMNAALDH1A1
SCHEMBL16639773 0.71 ALDH1A1 (0.62) SMN1; SMN2USP2ALOX15HSD17B10LMNA

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 SMN1; SMN2 346/4885HTT 298/4885NPSR1 635/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS SMN1; SMN2 616/4885HTT 788/4885NPSR1 1004/4885

“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.