SCHEMBL4007422

SCHEMBL4007422

O=S(=O)(O)Cc1c(F)cccc1F.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36
AKR1B1 P15121 1/20 0.36
GRM4 Q14833 1/20 0.36
BCHE P06276 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PSIP1 O75475 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL4007057 0.98 MEN1 (0.42) MEN1ALDH1A1KMT2ACES2CES1
SCHEMBL4004824 0.83 HSD11B1 (0.44) MEN1ALDH1A1KMT2ATAAR1AKR1B1
SCHEMBL2903593 0.81 HSD11B1 (0.45) MEN1ALDH1A1KMT2ATAAR1AKR1B1
SCHEMBL776018 0.80 ALDH1A1 (0.56) MEN1ALDH1A1KMT2AGAATAAR1
SCHEMBL776969 0.77 CES2 (0.35) MEN1ALDH1A1KMT2ACES2CES1
SCHEMBL1272648 0.77 KDM4E (0.37) MEN1ALDH1A1KMT2ACES2CES1
SCHEMBL3601572 0.77 CA1 (0.46) MEN1ALDH1A1KMT2ACES2CES1
SCHEMBL1500897 0.77 TAAR1 (0.41) MEN1ALDH1A1KMT2ACES2CES1
SCHEMBL1272649 0.77 LMNA (0.41) MEN1ALDH1A1KMT2AKDM4ETAAR1
SCHEMBL2903751 0.77 GAA (0.35) MEN1KMT2AGAAKDM4ETAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP disclosed
US-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US disclosed
EP-1718605-A1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES Wyeth (US) 2006-11-08 EP disclosed
WO-2005082843-A1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH (US) 2005-09-09 WO disclosed
US-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides WYETH (US) 2005-08-25 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-20050187408-A1 Processes for the preparation of aryl-and heteroaryl-alkylsulfonyl halides ARSA, AHR, STS MEN1 3604/4885ALDH1A1 2095/4885KMT2A 1431/4885

“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.