SCHEMBL2385875

SCHEMBL2385875

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(c2nsnc2OCc2ccsc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.44
▸ PDGFRB P09619 2/20 0.42
▸ KIT P10721 2/20 0.42
▸ PDGFRA P16234 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ NR2E1 Q9Y466 1/20 0.42
▸ MAPK10 P53779 2/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL2382772 0.88 TRPV1 (0.49) TRPV1PDGFRBKITNR2E1MAPK10
SCHEMBL2386074 0.86 MAPK10 (0.47) TRPV1NR2E1MAPK10LMNAMAPT
SCHEMBL5572976 0.86 TRPV1 (0.44) TRPV1PDGFRBNR2E1MAPK10LMNA
SCHEMBL2381535 0.85 TRPV1 (0.43) TRPV1NR2E1MAPK10LMNAMAPT
SCHEMBL2382754 0.85 TRPV1 (0.45) TRPV1NR2E1MAPK10LMNAMAPT
SCHEMBL2383176 0.85 LMNA (0.54) TRPV1PDGFRBMAPK10LMNAMAPT
SCHEMBL2384714 0.85 TRPV1 (0.44) TRPV1PDGFRBNR2E1MAPK10LMNA
SCHEMBL2385310 0.85 TRPV1 (0.44) TRPV1PDGFRBKITNR2E1MAPK10
SCHEMBL2386175 0.85 TRPV1 (0.47) TRPV1KITNR2E1MAPTCNR2
SCHEMBL2382942 0.85 TRPV1 (0.47) TRPV1NR2E1MAPK10LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US claimed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 — — US disclosed
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 — — EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 — — 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 (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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR TRPV1 4108/4885PDGFRB 45/4885KIT 46/4885

“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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