SCHEMBL8901619

SCHEMBL8901619

O=S(=O)(CF)c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.67
CA2 P00918 3/20 0.50
MMP2 P08253 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 1/20 0.45
CA1 P00915 1/20 0.45
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 3/20 0.41
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 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
SCHEMBL3253487 0.80 PLCG1 (1.00) PLCG1CA2MMP2CA12CA9
SCHEMBL3576166 0.79 PLCG1 (0.57) PLCG1CA2TDP1KMT2ACYP3A4
SCHEMBL9704914 0.78 PLCG1 (0.70) PLCG1CA2MMP2CA12CA9
SCHEMBL15199478 0.78 MMP2 (0.46) CA2MMP2CA1MMP1MMP9
SCHEMBL5375 0.78 PLCG1 (0.70) PLCG1CA2MMP2CA12CA9
SCHEMBL15212213 0.77 PSIP1 (0.41) PLCG1CA2CA12CA9CA1
SCHEMBL17548363 0.77 PLCG1 (0.50) PLCG1CA2MMP2CA12CA9
SCHEMBL11380416 0.76 GAA (0.61) CA2MMP2CA12CA9CA1
SCHEMBL10437234 0.76 CA2 (0.57) CA2MMP2CA12CA9CA1
SCHEMBL3109600 0.76 PLCG1 (0.67) PLCG1CA2MMP2CA12CA9

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-9599584-B2 Imbedded chip for battery applications CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-21 US disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-20150262648-A1 SEMICONDUCTOR DEVICE, ADJUSTMENT METHOD THEREOF AND DATA PROCESSING SYSTEM LONGITUDE LICENSING LIMITED (IE) 2015-09-17 US disclosed
US-8962608-B2 Cycloalkylnitrile pyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
US-20140243309-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
EP-0683172-B1 11,21-Bisphenyl-19-norpregnane derivatives AKZO NOBEL NV (NL) 1997-08-13 EP disclosed
US-5620966-A ANTIGLUOCORTICOID ACTIVITY AKZO NOBEL N.V. (NL) 1997-04-15 US disclosed
EP-0683172-A1 11,21-Bisphenyl-19-norpregnane derivatives Akzo Nobel N.V. (NL) 1995-11-22 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-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PLCG1 2422/4885CA2 1232/4885MMP2 2099/4885
US-20140243309-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PLCG1 2448/4885CA2 2348/4885MMP2 1352/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 PLCG1 2570/4885CA2 777/4885MMP2 1992/4885

“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.