SCHEMBL948719

SCHEMBL948719

O=C(O)CCS(=O)(=O)c1ccc2cc(Br)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
HSD11B1 P28845 1/20 0.47
CTDSP1 Q9GZU7 3/20 0.46
GRK2 P25098 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.44
POLB P06746 5/20 0.44
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 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
SCHEMBL7826055 0.84 ALDH1A1 (0.68) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL947975 0.83 HSD11B1 (0.63) ALDH1A1HTTNPSR1KDM4EHSD11B1
SCHEMBL7014867 0.82 POLB (0.52) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL947731 0.81 ALDH1A1 (0.56) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL21872042 0.81 ATM (0.61) ALDH1A1HTTNPSR1KDM4EHSD11B1
SCHEMBL947274 0.79 ALDH1A1 (0.44) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL950224 0.79 ALDH1A1 (0.54) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL950209 0.78 ALDH1A1 (0.52) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL947223 0.78 ALDH1A1 (0.52) ALDH1A1HTTNPSR1KDM4EHPGD
SCHEMBL948303 0.77 KDM4E (0.78) ALDH1A1HTTNPSR1KDM4EHPGD

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
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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 (3 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALDH1A1 2246/4885HTT 1774/4885NPSR1 538/4885
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH ALDH1A1 4317/4885HTT 864/4885NPSR1 457/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885HTT 2246/4885NPSR1 818/4885

“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.