SCHEMBL3263489

SCHEMBL3263489

CCCCC(I)S(=O)(=O)Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
CA2 P00918 5/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 2/20 0.30
FAAH O00519 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3134546 0.76 CA2 (0.41) TP53CA2CA1CA12CA7
SCHEMBL27289489 0.75 TP53 (0.37) TP53DNM1TSHRSMN1; SMN2FDPS
SCHEMBL5888772 0.75 TP53 (0.37) TP53DNM1TSHRSMN1; SMN2FDPS
SCHEMBL28313790 0.73 CA2 (0.36) TP53DNM1TSHRSMN1; SMN2FDPS
SCHEMBL6113068 0.73 TP53 (0.45) TP53DNM1TSHRSMN1; SMN2FDPS
SCHEMBL14892962 0.71 TP53 (0.43) TP53DNM1FDPSCA2CA1
SCHEMBL20084326 0.71 TSHR (0.38) TP53DNM1TSHRSMN1; SMN2FDPS
SCHEMBL1415215 0.71 TP53 (0.34) TP53DNM1TSHRSMN1; SMN2FDPS
SCHEMBL17213651 0.71 CA2 (0.34) TP53DNM1TSHRSMN1; SMN2FDPS
SCHEMBL27516526 0.70 TP53 (0.41) TP53DNM1TSHRSMN1; SMN2FDPS

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
WO-2010018113-A2 BI-ARYL AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
US-20100041714-A1 BI-ARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
US-6262112-B1 1-(4,4,4-TRIFLUOROBUTYLSULPHONYLOXY)-3-(2-(HYDROXYMETHYL)INDAN -4-YLOXY)-BENZENE BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 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-20100041714-A1 BI-ARYL AMINOTETRALINES HRH4, HRH2, HRH1 TP53 4541/4885DNM1 4749/4885TSHR 157/4885

“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.