SCHEMBL793616

SCHEMBL793616

COC(=O)c1c(F)cc(C(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.46
TTR P02766 1/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
PLAU P00749 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ACLY P53396 8/20 0.41
ALPL P05186 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL793325 0.90 KDM4E (0.48) LMNAHTTMEN1MAPTCASP3
SCHEMBL1706757 0.88 TPMT (0.53) TPMTTTRPLAUTSHRHPGD
SCHEMBL12426969 0.88 LMNA (0.50) TPMTLMNAMAPK1HTTRAB9A
SCHEMBL1707086 0.85 LMNA (0.41) LMNAHTTMEN1MAPTCASP3
SCHEMBL791574 0.82 TTR (0.54) TPMTTTRLMNAMAPK1HTT
SCHEMBL22889954 0.81 CYP3A4 (0.46) TPMTLMNAMAPK1HTTRAB9A
SCHEMBL20644102 0.81 ACLY (0.46) LMNAHTTRAB9AMEN1MAPT
SCHEMBL15566486 0.79 LMNA (0.42) LMNAMAPK1HTTRAB9AMEN1
SCHEMBL793209 0.78 MAPT (0.39) LMNARAB9AMEN1MAPTCASP3
SCHEMBL792634 0.78 NQO2 (0.44) LMNAMEN1MAPTCASP3KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459187-B Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2015-06-17 CN disclosed
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-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
CN-102459187-A Janus Kinase Inhibiting Compounds and Methods HOFFMANN LA ROCHE 2012-05-16 CN disclosed
EP-2440529-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 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 (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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TPMT 1198/4885TTR 3371/4885LMNA 4561/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TPMT 20/4885TTR 134/4885LMNA 2558/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R TPMT 20/4885TTR 134/4885LMNA 2558/4885

“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.