SCHEMBL16639766

SCHEMBL16639766

O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.71
POLB P06746 2/20 0.56
TP53 P04637 1/20 0.56
THRB P10828 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53

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
SCHEMBL16639761 0.87 NAMPT (0.69) NAMPTTP53SMN1; SMN2
SCHEMBL16639802 0.87 NAMPT (0.75) NAMPTTP53SMN1; SMN2
SCHEMBL10259189 0.86 NAMPT (0.68) NAMPTTP53THRBSMN1; SMN2
SCHEMBL16639759 0.85 NAMPT (0.73) NAMPTTP53SMN1; SMN2
SCHEMBL12466813 0.83 NAMPT (1.00) NAMPT
SCHEMBL4927665 0.82 HDAC3 (0.62) NAMPTTP53SMN1; SMN2HDAC3HDAC1
SCHEMBL15246219 0.81 NAMPT (1.00) NAMPT
SCHEMBL16639753 0.81 SMN1; SMN2 (0.75) TP53SMN1; SMN2
SCHEMBL10260177 0.80 NAMPT (0.60) NAMPTTP53SMN1; SMN2
SCHEMBL4925818 0.79 HDAC3 (0.59) NAMPTTP53SMN1; SMN2HDAC3HDAC1

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 NAMPT 459/4885POLB 4094/4885TP53 1915/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885POLB 4160/4885TP53 2268/4885

“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.