SCHEMBL11907320

SCHEMBL11907320

Nc1ccc(-c2cccc(S(N)(=O)=O)c2)nc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.51
CA2 P00918 11/20 0.45
CA1 P00915 8/20 0.45
CA9 Q16790 8/20 0.45
CA12 O43570 4/20 0.45
CA13 Q8N1Q1 1/20 0.45
IKBKB O14920 1/20 0.44
ATR Q13535 2/20 0.43
CA7 P43166 2/20 0.43
CA4 P22748 3/20 0.42
TYRO3 Q06418 1/20 0.42
PRKDC P78527 1/20 0.42
ATM Q13315 1/20 0.42
CDK8 P49336 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CA14 Q9ULX7 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 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
SCHEMBL11909565 0.88 ATR (0.55) MAP2K3ATRPRKDCATMCSNK2A2
SCHEMBL11908032 0.83 MAP2K3 (0.53) MAP2K3CA2CA1CA9CA12
SCHEMBL11907312 0.81 MAP2K3 (0.62) MAP2K3IKBKBATRPRKDC
SCHEMBL11908374 0.79 MAP2K3 (0.77) MAP2K3IKBKBATRPRKDC
SCHEMBL11906962 0.79 MAP2K3 (0.55) MAP2K3ATRCSNK2A2CSNK2B
SCHEMBL14075574 0.78 ASIC3 (0.55) CA2CA1CA9CA12CA13
SCHEMBL11906996 0.78 CA1 (0.45) CA2CA1CA9CA12CA13
SCHEMBL11908303 0.76 MAP2K3 (0.73) MAP2K3IKBKBATRPRKDC
SCHEMBL11906788 0.76 MAP2K3 (0.51) MAP2K3
SCHEMBL11907351 0.76 MAP2K3 (0.51) 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 2979/4885CA1 3450/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP2K3 197/4885CA2 2979/4885CA1 3450/4885

“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.