SCHEMBL949128

SCHEMBL949128

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.54
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL947731 0.88 ALDH1A1 (0.56) F10ALDH1A1HTTKDM4EHPGD
SCHEMBL8283278 0.86 F10 (0.53) F10ALDH1A1HTTKDM4EHPGD
SCHEMBL1940052 0.83 KMT2A (0.59) ALDH1A1HTTKDM4E
SCHEMBL7009093 0.82 CA2 (0.49) F10ALDH1A1HTTKDM4E
SCHEMBL7010156 0.82 PPARG (0.52) F10ALDH1A1HTT
SCHEMBL7013159 0.81 PPARG (0.51) F10ALDH1A1HTT
SCHEMBL7009075 0.80 F10 (0.46) F10ALDH1A1HTT
SCHEMBL7015561 0.79 CA2 (0.51) F10ALDH1A1HTT
SCHEMBL7016777 0.78 PPARG (0.51) F10ALDH1A1HTTKDM4EHPGD
SCHEMBL7018080 0.78 F10 (0.45) F10

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 6 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-7534887-B2 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-20070010528-A1 Thiazoline derivative and use of the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 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-1669352-A1 THIAZOLINE DERIVATIVE AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2006-06-14 EP disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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-20070010528-A1 Thiazoline derivative and use of the same TBXA2R, F2, F3 F10 90/4885ALDH1A1 2163/4885HTT 1126/4885
US-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 F10 545/4885ALDH1A1 2246/4885HTT 1774/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 F10 490/4885ALDH1A1 2316/4885HTT 2246/4885

“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.