SCHEMBL791574

SCHEMBL791574

O=C(O)c1cc(F)c(C(=O)O)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.54
TSHR P16473 1/20 0.47
TPMT P51580 2/20 0.46
PLAU P00749 1/20 0.44
ACLY P53396 4/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CA3 P07451 1/20 0.41
MAPT P10636 1/20 0.41
SELL P14151 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
SCHEMBL542833 0.84 LMNA (0.50) TTRTSHRTPMTLMNAMAPK1
SCHEMBL543454 0.84 TTR (0.65) TTRTSHRTPMTPLAULMNA
Hydrochloric Acid SCHEMBL5512605 0.82 TTR (0.62) TTRTSHRTPMTPLAULMNA
Hydrochloric Acid SCHEMBL941982 0.82 TTR (0.62) TTRTSHRTPMTPLAULMNA
SCHEMBL793616 0.82 TPMT (0.46) TTRTSHRTPMTPLAUACLY
SCHEMBL16460187 0.81 RORC (0.43) TTRTSHRACLYMAPK1SMN1; SMN2
SCHEMBL4043412 0.81 AKR1C4 (0.45) TSHRTPMTACLYSMN1; SMN2ALDH1A1
SCHEMBL2431319 0.81 TTR (0.56) TTRTSHRTPMTPLAUACLY
SCHEMBL29738515 0.81 TTR (0.56) TTRTSHRTPMTPLAUACLY
SCHEMBL2684340 0.79 TTR (0.72) TTRTSHRTPMTPLAUACLY

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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-8697708-B2 Azabenzothiazole compounds, compositions and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-04-15 US disclosed
EP-2616072-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-07-24 EP disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO 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 (2 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-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TTR 134/4885TSHR 273/4885TPMT 20/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TTR 134/4885TSHR 273/4885TPMT 20/4885

“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.