SCHEMBL2293507

SCHEMBL2293507

CS(=O)(=O)Oc1cc(Br)c(CBr)cc1OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.37
TAAR1 Q96RJ0 3/20 0.37
HTR2C P28335 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKDC P78527 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2294107 0.79 DRD2 (0.33) HTR2AHTR2CCA1CA2CA12
SCHEMBL2293006 0.77 KMT2A (0.43) LMNAKMT2ASMN1; SMN2
SCHEMBL2296280 0.77 ALDH1A1 (0.41) CA2CA12LMNAKDM4ESMN1; SMN2
SCHEMBL29758521 0.75 HTR2A (0.52) HTR2ATAAR1HTR2CCA1CA2
SCHEMBL2294326 0.75 HTR2A (0.52) HTR2ATAAR1HTR2CCA1CA2
SCHEMBL2889174 0.73 CA1 (0.47) CA1CA2CA9LMNAKDM4E
SCHEMBL2294508 0.72 THRA (0.39) HTR2ALMNAKMT2ASMN1; SMN2
SCHEMBL2288266 0.72 TNFSF11 (0.42) CA1CA2CA12CA9KDM4E
SCHEMBL2291101 0.71 HTR2A (0.36) HTR2ATAAR1HTR2CCA1CA2
SCHEMBL20582955 0.70 KDM4E (0.34) CA1CA2CA9KDM4EKMT2A

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-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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 (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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 HTR2A 667/4885TAAR1 2679/4885HTR2C 426/4885

“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.