SCHEMBL16639802

SCHEMBL16639802

O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc2ccccc2o1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.75
ALDH1A1 P00352 2/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 1/20 0.57

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
SCHEMBL16639759 0.99 NAMPT (0.73) NAMPTALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL16639803 0.91 NAMPT (0.75) NAMPTALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL10259189 0.88 NAMPT (0.68) NAMPTALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL16639766 0.87 NAMPT (0.71) NAMPTTP53SMN1; SMN2
SCHEMBL15246219 0.86 NAMPT (1.00) NAMPT
SCHEMBL12466813 0.86 NAMPT (1.00) NAMPT
SCHEMBL16639761 0.85 NAMPT (0.69) NAMPTALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL20691220 0.82 CA12 (0.60) NAMPTALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL27312618 0.79 ALDH1A1 (0.88) NAMPTALDH1A1TP53HPGD
SCHEMBL10260009 0.78 ALDH1A1 (0.57) NAMPTALDH1A1TP53SMN1; SMN2MAPT

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 459/4885ALDH1A1 2853/4885TP53 1915/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885ALDH1A1 2737/4885TP53 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.