SCHEMBL14057145

SCHEMBL14057145

CC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1c1ccc2c(c1)CCO2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 15/20 0.65
▸ PTGS2 P35354 1/20 0.58
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ NT5E P21589 1/20 0.50
▸ CA4 P22748 1/20 0.49

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
SCHEMBL14058372 0.91 TERT (0.79) TERTPTGS2
SCHEMBL14058294 0.86 PTGS2 (0.77) TERTPTGS2CA1CA2CA9
SCHEMBL14058241 0.84 PTGS2 (0.66) TERTPTGS2CA1CA2CA9
SCHEMBL14058664 0.82 PTGS2 (0.71) PTGS2CA1CA2CA9CA12
SCHEMBL14058665 0.82 PTGS2 (0.71) PTGS2CA1CA2CA9CA12
SCHEMBL14058064 0.82 PTGS2 (0.70) PTGS2CA1CA2CA9CA12
SCHEMBL14058011 0.82 PTGS2 (0.70) TERTPTGS2CA1CA2CA9
SCHEMBL14058010 0.82 PTGS2 (0.70) TERTPTGS2CA1CA2CA9
SCHEMBL14058102 0.81 PTGS2 (0.58) TERTPTGS2CA1CA2CA9
SCHEMBL14058442 0.80 CA1 (0.62) TERTPTGS2CA1CA2CA9

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
WO-2012160447-A1 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — WO disclosed
WO-2012160447-A1 3, 5 -DIPHENYL- SUBSTITUTED PYRAZOLINES FOR THE TREATMENT OF CANCER, PROLIFERATIVE, INFLAMMATORY OR AUTOIMMUNE DISEASES DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — WO disclosed
US-20120302609-A1 Pyrazolines for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — US disclosed
US-20120302609-A1 Pyrazolines for the Modulation of PKM2 DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-11-29 — — 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 (1 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-20120302609-A1 Pyrazolines for the Modulation of PKM2 PDK2, PDK4, PDK3 TERT 1927/4885PTGS2 1275/4885CA1 4855/4885

“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.

Send feedback