SCHEMBL3193347

SCHEMBL3193347

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cn2ccc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.49
CA1 P00915 2/20 0.49
NR1I2 O75469 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARG P37231 3/20 0.47
SERPINE1 P05121 1/20 0.47
NTSR1 P30989 1/20 0.46
PTPN1 P18031 1/20 0.46
AGTR2 P50052 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP9 P14780 1/20 0.45

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
SCHEMBL3193462 0.96 SERPINE1 (0.53) CA2CA1NR1I2ITGB1ITGA4
SCHEMBL3204698 0.93 NR1I2 (0.53) CA2CA1NR1I2MEN1ALDH1A1
SCHEMBL3185435 0.90 SERPINE1 (0.52) CA2CA1NR1I2ITGB1ITGA4
SCHEMBL4764668 0.82 CA1 (0.49) CA2CA1ITGB1ITGA4MEN1
SCHEMBL3194968 0.81 NTSR1 (0.60) NR1I2SERPINE1NTSR1MMP9
SCHEMBL3193084 0.79 NTSR1 (0.59) NR1I2ALDH1A1SERPINE1NTSR1
SCHEMBL3328211 0.79 NTSR1 (0.59) NR1I2ALDH1A1SERPINE1NTSR1
SCHEMBL3198713 0.78 SERPINE1 (0.52) NR1I2MEN1KMT2APPARGSERPINE1
SCHEMBL3195444 0.77 NR1I2 (0.63) CA2CA1NR1I2MEN1ALDH1A1
SCHEMBL5418798 0.77 SERPINE1 (0.56) NR1I2MEN1KMT2APPARGSERPINE1

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
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 US claimed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 US 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 CA2 2597/4885CA1 861/4885NR1I2 2818/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 CA2 2597/4885CA1 861/4885NR1I2 2818/4885

“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.