SCHEMBL16639752

SCHEMBL16639752

Cc1ccc(C)c2c(C)c(C(=O)NCc3ccc(S(=O)(=O)N4CCCC4)cc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.59
ALDH1A1 P00352 6/20 0.59
HTT P42858 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
USP2 O75604 5/20 0.53
LMNA P02545 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 3/20 0.52
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
NAMPT P43490 2/20 0.49
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48

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
SCHEMBL10261335 0.76 SMN1; SMN2 (0.86) SMN1; SMN2ALDH1A1HTTKDM4EMAPK1
SCHEMBL16639753 0.76 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1HTTKDM4EMAPK1
SCHEMBL16639779 0.74 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HTTMAPK1HSD17B10
SCHEMBL8275548 0.73 ALDH1A1 (0.98) SMN1; SMN2ALDH1A1HTTKDM4EMAPK1
SCHEMBL10259647 0.73 ALDH1A1 (0.98) SMN1; SMN2ALDH1A1HTTKDM4EMAPK1
SCHEMBL16639798 0.73 SMN1; SMN2 (0.78) SMN1; SMN2ALDH1A1HTTKDM4EMAPK1
SCHEMBL31562927 0.72 NAMPT (0.75) ALDH1A1USP2NAMPT
SCHEMBL16639761 0.71 NAMPT (0.69) SMN1; SMN2ALDH1A1HTTKDM4ENPSR1
SCHEMBL27312618 0.71 ALDH1A1 (0.88) ALDH1A1KDM4EHPGDLMNATP53
SCHEMBL16639759 0.69 NAMPT (0.73) SMN1; SMN2ALDH1A1HPGDL3MBTL1KMT2A

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 346/4885ALDH1A1 2853/4885HTT 298/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS SMN1; SMN2 616/4885ALDH1A1 2737/4885HTT 788/4885

“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.