Sugi Predict

Sugi Predict / Compounds / Indole

Indole

Indole

SCHEMBL2948635

C[C@H](N)C(=O)O.c1ccc2[nH]ccc2c1

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.59
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ ITGB2 P05107 1/20 0.59
▸ ICAM1 P05362 1/20 0.59
▸ ITGAL P20701 1/20 0.59
▸ CA4 P22748 1/20 0.59
▸ CA6 P23280 1/20 0.59
▸ AHR P35869 1/20 0.59
▸ ADK P55263 1/20 0.59
▸ PTGS2 P35354 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ WNT3A P56704 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41

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
Indole SCHEMBL9418736 1.00 TRPA1 (0.59) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL27647341 1.00 TRPA1 (0.59) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL2262674 0.89 TRPA1 (0.53) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL22750244 0.89 TRPA1 (0.53) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL5174731 0.88 TRPA1 (0.61) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL31206792 0.88 TRPA1 (0.61) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL5446222 0.85 TRPA1 (0.68) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL3738189 0.85 TRPA1 (0.49) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL149556 0.85 TRPA1 (0.49) TRPA1CA1CA2ITGB2ICAM1
Indole SCHEMBL15552 0.83 TRPA1 (0.71) TRPA1CA1CA2ITGB2ICAM1

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-7754896-B2 Indol-alanine derivatives as selective S1P4-agonists NOVARTIS AG (CH) 2010-07-13 — — US disclosed
US-7754896-B2 Indol-alanine derivatives as selective S1P4-agonists NOVARTIS AG (CH) 2010-07-13 — — US disclosed
US-20090023797-A1 Indol-Alanine Derivatives as Selective S1P4-Agonists NOVARTIS AG (CH) 2009-01-22 — — US disclosed
EP-1708998-B1 INDOL-ALANINE DERIVATIVES AS SELECTIVE S1P4-AGONISTS NOVARTIS AG (CH) 2008-10-15 — — EP disclosed
CN-1910148-A Indolylalanine derivatives as selective S1P4 agonists NOVARTIS AG (CH) 2007-02-07 — — CN disclosed
CN-1910148-A Indolylalanine derivatives as selective S1P4 agonists NOVARTIS AG (CH) 2007-02-07 — — CN disclosed
EP-1708998-A1 INDOL-ALANINE DERIVATIVES AS SELECTIVE S1P4-AGONISTS Novartis AG (CH) 2006-10-11 — — EP disclosed
WO-2005070886-A1 INDOL-ALANINE DERIVATIVES AS SELECTIVE S1P4-AGONISTS NOVARTIS AG (CH) 2005-08-04 — — 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-20090023797-A1 Indol-Alanine Derivatives as Selective S1P4-Agonists S1PR3, S1PR4, S1PR1 TRPA1 406/4885CA1 3325/4885CA2 3207/4885

“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.