SCHEMBL16639775

SCHEMBL16639775

O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cn2cc(Cl)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 11/20 0.65
▸ TP53 P04637 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ USP30 Q70CQ3 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL15530561 0.79 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL15246315 0.77 NAMPT (0.66) NAMPTTHRBALDH1A1MEN1KMT2A
SCHEMBL16639776 0.77 POLB (0.58) NAMPTPOLBTHRBALDH1A1MEN1
SCHEMBL16639790 0.74 ALDH1A1 (0.61) NAMPTTP53POLBTHRBALDH1A1
SCHEMBL15246292 0.74 NAMPT (1.00) NAMPTALDH1A1
SCHEMBL16639758 0.73 NAMPT (0.98) NAMPT
SCHEMBL4727111 0.73 ALDH1A1 (0.76) POLBALDH1A1KMT2A
SCHEMBL16107599 0.73 NAMPT (1.00) NAMPT
SCHEMBL15246323 0.72 ALDH1A1 (0.60) NAMPTPOLBALDH1A1
SCHEMBL23747380 0.72 NAMPT (0.77) NAMPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS NAMPT 759/4885TP53 2268/4885POLB 4160/4885

“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.

Send feedback