SCHEMBL14058294

SCHEMBL14058294

CC(=O)N1N=C(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1c1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.77
▸ NT5E P21589 1/20 0.67
▸ CA12 O43570 2/20 0.65
▸ CA1 P00915 2/20 0.65
▸ CA2 P00918 2/20 0.65
▸ CA9 Q16790 2/20 0.65
▸ EGFR P00533 2/20 0.62
▸ CACNA1H O95180 3/20 0.61
▸ HPGD P15428 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ TERT O14746 2/20 0.58

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
SCHEMBL14058664 0.96 PTGS2 (0.71) PTGS2NT5ECA12CA1CA2
SCHEMBL14058665 0.96 PTGS2 (0.71) PTGS2NT5ECA12CA1CA2
SCHEMBL14058010 0.95 PTGS2 (0.70) PTGS2NT5ECA12CA1CA2
SCHEMBL14058011 0.95 PTGS2 (0.70) PTGS2NT5ECA12CA1CA2
SCHEMBL14058064 0.95 PTGS2 (0.70) PTGS2NT5ECA12CA1CA2
SCHEMBL14058605 0.93 PTGS2 (0.71) PTGS2NT5ECA12CA1CA2
SCHEMBL14058334 0.93 PTGS2 (0.71) PTGS2NT5ECA12CA1CA2
SCHEMBL14058030 0.93 PTGS2 (0.71) PTGS2NT5ECA12CA1CA2
SCHEMBL14058241 0.92 PTGS2 (0.66) PTGS2NT5ECA12CA1CA2
SCHEMBL14133875 0.90 PTGS2 (0.74) PTGS2NT5ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852591-A1 L-MALATE SALT OF 2, 7 - DIAZA - SPIRO [4.5]DEC- 7 - YLE DERIVATIVES AND CRYSTALLINE FORMS THEREOF AS GHRELIN RECEPTOR AGONISTS Novartis AG (CH) 2015-04-01 — — EP disclosed
US-20130331369-A1 3-Spirocyclic Piperidine Derivatives as Ghrelin Receptor Agonists NOVARTIS AG (CH) 2013-12-12 — — US disclosed
WO-2013164790-A1 L-MALATE SALT OF 2, 7 - DIAZA - SPIRO [4.5 ] DEC- 7 - YLE DERIVATIVES AND CRYSTALLINE FORMS THEREOF AS GHRELIN RECEPTOR AGONISTS NOVARTIS AG (CH) 2013-11-07 — — WO disclosed
US-20130296358-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2013-11-07 — — US disclosed
US-8546416-B2 3-spirocyclic piperidine derivatives as ghrelin receptor agonists NOVARTIS AG (CH) 2013-10-01 — — US disclosed
WO-2012164473-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-12-06 — — WO disclosed
US-20120302540-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS NOVARTIS PHARMACEUTICALS UK LIMITED (GB) 2012-11-29 — — US 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 (4 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 PTGS2 1275/4885NT5E 2930/4885CA12 4776/4885
US-20130331369-A1 3-Spirocyclic Piperidine Derivatives as Ghrelin Receptor Agonists GIPR, GHSR, GLP1R PTGS2 1421/4885NT5E 3594/4885CA12 4558/4885
US-20130296358-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GIPR, GHSR, GLP1R PTGS2 1421/4885NT5E 3594/4885CA12 4558/4885
US-20120302540-A1 3-SPIROCYCLIC PIPERIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GIPR, GHSR, GLP1R PTGS2 1421/4885NT5E 3594/4885CA12 4558/4885

“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.

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