SCHEMBL16639780

SCHEMBL16639780

Cc1ccc2c(c1)cc(C(=O)NCc1ccc(S(=O)(=O)N3CCCC3)cc1)n2C

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.77
MAPT P10636 4/20 0.76
LMNA P02545 3/20 0.76
RXFP1 Q9HBX9 1/20 0.71
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
PPARG P37231 2/20 0.67
NCOA2 Q15596 2/20 0.67
NCOA1 Q15788 2/20 0.67
NCOA3 Q9Y6Q9 2/20 0.67
PRNP P04156 1/20 0.67
THRB P10828 1/20 0.67
RECQL P46063 1/20 0.67
POLB P06746 4/20 0.66
PLEC Q15149 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65

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
SCHEMBL16639849 0.87 TP53 (0.75) TP53MAPTLMNAMEN1KMT2A
SCHEMBL16639761 0.79 NAMPT (0.69) TP53MAPTMEN1KMT2AKDM4E
SCHEMBL31562878 0.78 KMT2A (0.65) TP53MAPTLMNAMEN1KMT2A
SCHEMBL27312826 0.78 KMT2A (0.65) TP53MAPTLMNAMEN1KMT2A
SCHEMBL16747245 0.77 THRB (0.56) TP53MAPTLMNARXFP1MEN1
SCHEMBL16644237 0.77 MAPT (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL15246505 0.75 MAPT (0.53) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL1156395 0.75 TP53 (0.65) TP53MAPTLMNAMEN1KMT2A
SCHEMBL10293253 0.74 TP53 (0.66) TP53MAPTLMNAMEN1KMT2A
SCHEMBL16639785 0.74 GAA (0.55) TP53MAPTMEN1KMT2AKDM4E

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 TP53 1915/4885MAPT 1118/4885LMNA 3203/4885
US-20150104384-A1 AMIDO-BENZYL SULFONE AND SULFOXIDE DERIVATIVES STS, SULT1E1, CBS TP53 2268/4885MAPT 2018/4885LMNA 3476/4885

“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.