Sugi Predict

Sugi Predict / Compounds / SCHEMBL18437814

SCHEMBL18437814

SCHEMBL18437814

C=CS(=O)(=O)Nc1cc(NS(=O)(=O)C=Cc2c(OC)cc(OC)cc2OC)ccc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PLK1 P53350 4/20 0.43
▸ MET P08581 1/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ FECH P22830 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL18437810 1.00 BRD4 (0.44) BRD4ALDH1A1LMNAHTTPLK1
SCHEMBL2213001 0.87 ALDH1A1 (0.46) BRD4ALDH1A1LMNAHTTPLK1
SCHEMBL2212994 0.87 ALDH1A1 (0.46) BRD4ALDH1A1LMNAHTTPLK1
SCHEMBL18437924 0.84 PLK1 (0.47) ALDH1A1LMNAPLK1METNQO2
SCHEMBL18437923 0.84 PLK1 (0.47) ALDH1A1LMNAPLK1METNQO2
SCHEMBL18437612 0.83 PLK1 (0.48) ALDH1A1LMNAHTTPLK1MET
SCHEMBL18437611 0.83 PLK1 (0.48) ALDH1A1LMNAHTTPLK1MET
SCHEMBL2210303 0.83 PLK1 (0.49) ALDH1A1LMNAHTTPLK1MET
SCHEMBL2210291 0.83 PLK1 (0.49) ALDH1A1LMNAHTTPLK1MET
SCHEMBL18437727 0.82 PTGS2 (0.47) ALDH1A1LMNAHTT

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-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 — — US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 — — US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 — — WO 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-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA BRD4 1420/4885ALDH1A1 1603/4885LMNA 2516/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA BRD4 1420/4885ALDH1A1 1603/4885LMNA 2516/4885

“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.