SCHEMBL3206680

SCHEMBL3206680

O=C(Cn1ccc2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 8/20 0.53
SERPINE1 P05121 2/20 0.52
FPR2 P25090 1/20 0.52
KEAP1 Q14145 1/20 0.43
HTR6 P50406 2/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 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
SCHEMBL3194968 0.88 NTSR1 (0.60) NTSR1SERPINE1
SCHEMBL3202701 0.88 NTSR1 (0.64) NTSR1
SCHEMBL3185435 0.88 SERPINE1 (0.52) SERPINE1FPR2
SCHEMBL3193084 0.86 NTSR1 (0.59) NTSR1SERPINE1HTR6
SCHEMBL3328211 0.86 NTSR1 (0.59) NTSR1SERPINE1HTR6
SCHEMBL4659034 0.85 FPR2 (0.52) NTSR1FPR2
SCHEMBL3204087 0.83 SERPINE1 (0.54) SERPINE1FPR2
SCHEMBL3200336 0.78 SERPINE1 (0.51) SERPINE1FPR2
SCHEMBL3201141 0.77 NTSR1 (0.75) NTSR1
SCHEMBL3196667 0.76 NTSR1 (0.79) NTSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US claimed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 WO claimed
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 US disclosed
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 US disclosed
EP-1919866-A2 SUBSTITUTED INDOLES AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US disclosed
WO-2007022321-A2 SUBSTITUTED INDOLES AND USE THEREOF WYETH (US) 2007-02-22 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 (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-20070043101-A1 Substituted indoles and methods of their use INMT, AANAT, IDO2 NTSR1 411/4885SERPINE1 4756/4885FPR2 1575/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 NTSR1 411/4885SERPINE1 4756/4885FPR2 1575/4885

“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.