SCHEMBL11908032

SCHEMBL11908032

Nc1ccc(-c2ccc(S(N)(=O)=O)cc2)nc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 2/20 0.53
CA2 P00918 15/20 0.50
CA9 Q16790 15/20 0.50
CA1 P00915 13/20 0.50
CA12 O43570 11/20 0.50
CA14 Q9ULX7 8/20 0.50
CA7 P43166 2/20 0.50
CA5A P35218 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA4 P22748 4/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
JAK2 O60674 1/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL11909224 0.87 MAP2K3 (0.51) MAP2K3PTGS2
SCHEMBL11907320 0.83 MAP2K3 (0.51) MAP2K3CA2CA9CA1CA12
SCHEMBL11908303 0.81 MAP2K3 (0.73) MAP2K3
SCHEMBL11908374 0.80 MAP2K3 (0.77) MAP2K3CYP2C19
SCHEMBL11907713 0.78 MAP2K3 (0.76) MAP2K3CYP2C19
SCHEMBL11907875 0.75 MAP2K3 (0.51) MAP2K3
SCHEMBL11909565 0.73 ATR (0.55) MAP2K3GSK3BJAK2
SCHEMBL11909117 0.73 MAP2K3 (0.53) MAP2K3
SCHEMBL11908776 0.73 MAP2K3 (0.53) MAP2K3
SCHEMBL11909201 0.72 ATR (0.43) MAP2K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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 (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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP2K3 197/4885CA2 2979/4885CA9 3709/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP2K3 197/4885CA2 2979/4885CA9 3709/4885

“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.