SCHEMBL2097734

SCHEMBL2097734

O=S(=O)(ONOS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL17611842 0.77 CA1 (0.43) CA1CA2CA7CA13F2
SCHEMBL17849922 0.77 F2 (0.37) CA1CA2CA7CA13F2
SCHEMBL18573769 0.73 ELANE (0.30)
SCHEMBL8854036 0.71 CA2 (0.39) CA1CA2
SCHEMBL758884 0.69 CA2 (0.41) CA1CA2CA7CA13
SCHEMBL160 0.69 CA2 (0.41) CA1CA2CA7CA13
SCHEMBL758883 0.69 CA2 (0.41) CA1CA2CA7CA13
SCHEMBL2085247 0.69 CA2 (0.41) CA1CA2CA7CA13
SCHEMBL1533954 0.69 F2 (0.36) CA1CA2CA7CA13F2
SCHEMBL6448264 0.67 CA2 (0.39) CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970760-B ACC inhibitors and uses thereof 吉利德阿波罗公司 2022-04-26 CN disclosed
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 US disclosed
US-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2079740-B1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMA (US) 2012-12-05 EP disclosed
US-8163732-B2 Tricyclic heteroaryl compounds useful as inhibitors of Janus kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20100081645-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 US disclosed
EP-2079740-A2 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE Vertex Pharmaceuticals, Inc. (US) 2009-07-22 EP disclosed
WO-2008079521-A2 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 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 (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-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 CA1 4802/4885CA2 4066/4885CA7 4555/4885
US-20100081645-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 CA1 4802/4885CA2 4066/4885CA7 4555/4885
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 CA1 4802/4885CA2 4066/4885CA7 4555/4885

“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.