SCHEMBL5152873

SCHEMBL5152873

O=C(O)CC1Cc2ccccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
MAPT P10636 1/20 0.57
ITGB3 P05106 1/20 0.52
ITGB2 P05107 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 1/20 0.52
ITGA5 P08648 1/20 0.52
ITGB5 P18084 1/20 0.52
ITGAL P20701 1/20 0.52
EGFR P00533 1/20 0.44
MTNR1A P48039 4/20 0.43
CREBBP Q92793 2/20 0.41
MTNR1B P49286 1/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.38
MC4R P32245 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38

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
Hydrochloric Acid SCHEMBL9544373 0.98 GAA (0.56) GAAMAPTITGB3ITGB2ITGB1
SCHEMBL18707926 0.85 GAA (0.51) GAAMAPTMTNR1ACREBBPMTNR1B
SCHEMBL7654395 0.85 GAA (0.51) GAAMAPTITGB3ITGB2ITGB1
SCHEMBL3123562 0.85 GAA (0.51) GAAMAPTEGFRMTNR1ACREBBP
SCHEMBL7416734 0.85 GAA (0.51) GAAMAPTMTNR1ACREBBPMTNR1B
SCHEMBL5036112 0.82 GAA (0.49) GAAMAPTITGB3ITGB2ITGB1
SCHEMBL7488882 0.81 GAA (0.44) GAAMAPTITGB3ITGB2ITGB1
SCHEMBL8905113 0.81 EGFR (0.49) GAAMAPTEGFRMTNR1ACREBBP
SCHEMBL5547311 0.81 GAA (0.46) GAAMAPTMTNR1ACREBBPMTNR1B
SCHEMBL27719438 0.81 MAPT (0.48) GAAMAPTITGB3ITGB2ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
WO-2008078350-A2 PROCESS FOR THE PREPARATION OF FLUOROPHENYLACETIC ACIDS AND DERIVATIVES THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2008-07-03 WO disclosed
CN-1289499-C Pyrazino (aza) indole derivatives VERNALIS RES LTD (GB) 2006-12-13 CN disclosed
CN-1837207-A Pirazino(aza)indole derivatives VERNALIS RES LTD (GB) 2006-09-27 CN disclosed
CN-1337963-A Pyrazino (aza) indole derivatives VERNALIS RES LTD (GB) 2002-02-27 CN disclosed
CN-1156995-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 1997-08-13 CN 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-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 GAA 1992/4885MAPT 4528/4885ITGB3 4136/4885

“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.