SCHEMBL16639764

SCHEMBL16639764

Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
NAMPT P43490 8/20 0.53
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 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
SCHEMBL16639787 0.90 SMN1; SMN2 (0.55) KDM4EALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL22166400 0.84 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NAMPTLMNA
SCHEMBL27312618 0.78 ALDH1A1 (0.88) KDM4EALDH1A1NAMPTLMNAGAA
SCHEMBL16639777 0.78 THRB (0.54) KDM4EALDH1A1NAMPTLMNAMAPT
SCHEMBL16639770 0.76 SENP1 (0.61) KDM4ESMN1; SMN2NAMPTLMNAMAPT
SCHEMBL16639769 0.76 NAMPT (0.51) KDM4EALDH1A1NAMPTLMNAMAPT
SCHEMBL31562927 0.75 NAMPT (0.75) ALDH1A1NAMPT
SCHEMBL16639755 0.74 CHRM4 (0.52) KDM4EALDH1A1NAMPTLMNAMAPT
SCHEMBL16644246 0.74 TP53 (0.74) ALDH1A1SMN1; SMN2MAPTKMT2AGAA
SCHEMBL16644162 0.73 TP53 (0.72) ALDH1A1SMN1; SMN2MAPTKMT2AGAA

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 KDM4E 594/4885ALDH1A1 2853/4885SMN1; SMN2 346/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS KDM4E 661/4885ALDH1A1 2737/4885SMN1; 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.