SCHEMBL290852

SCHEMBL290852

Cc1c(C(=O)O)c2cc(O)ccc2n1Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.79
MAPT P10636 5/20 0.79
PKM P14618 3/20 0.79
ALDH1A1 P00352 2/20 0.79
LMNA P02545 4/20 0.76
KDM4E B2RXH2 2/20 0.76
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
PLA2G2A P14555 7/20 0.66
GFER P55789 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL7701611 0.88 MAPT (1.00) GAAMAPTPKMALDH1A1LMNA
SCHEMBL803358 0.86 MAPT (1.00) GAAMAPTPKMALDH1A1LMNA
SCHEMBL10778316 0.85 MAPT (0.59) GAAMAPTPKMALDH1A1LMNA
SCHEMBL3388126 0.85 PLA2G2A (0.68) GAAMAPTPKMALDH1A1LMNA
SCHEMBL7676057 0.85 LTB4R (0.67) GAAMAPTPKMALDH1A1LMNA
SCHEMBL612585 0.84 POLB (0.62) GAAMAPTPKMALDH1A1LMNA
SCHEMBL290764 0.84 PLA2G2A (0.67) GAAMAPTPKMALDH1A1LMNA
SCHEMBL291421 0.83 S1PR3 (0.65) GAAMAPTPKMALDH1A1LMNA
SCHEMBL4363430 0.83 PLA2G2A (0.79) GAAMAPTPKMALDH1A1KDM4E
SCHEMBL28289450 0.83 KDM4E (0.68) GAAMAPTPKMALDH1A1LMNA

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye ALLERGAN, INC. (US) 2012-03-22 US claimed
US-20110009453-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION DONELLO JOHN E 2011-01-13 US claimed
EP-2262497-A2 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION Allergan, Inc. (US) 2010-12-22 EP claimed
US-7737173-B2 Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2010-06-15 US claimed
WO-2009117335-A2 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION ALLERGAN, INC. (US) 2009-09-24 WO claimed
CN-101460458-A Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN INC (US) 2009-06-17 CN claimed
EP-1984334-A2 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2008-10-29 EP claimed
WO-2007095561-A2 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-08-23 WO claimed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US claimed
US-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2014-01-09 US disclosed
US-8563594-B2 S1P3 receptor inhibitors for treating pain ALLERGAN, INC. (US) 2013-10-22 US disclosed
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye ALLERGAN, INC. (US) 2012-03-22 US disclosed
EP-2427189-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING CONDITIONS OF THE EYE Allergan, Inc. (US) 2012-03-14 EP disclosed
WO-2010129553-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING CONDITIONS OF THE EYE ALLERGAN, INC. (US) 2010-11-11 WO disclosed
EP-1984334-A2 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2008-10-29 EP disclosed
WO-2007095561-A2 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-08-23 WO disclosed
WO-2007095561-A2 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-08-23 WO disclosed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US disclosed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US disclosed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US 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 (4 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-20140011771-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING PAIN S1PR3, LPAR3, S1PR2 GAA 4613/4885MAPT 3312/4885PKM 2472/4885
US-20110009453-A1 S1P3 RECEPTOR INHIBITORS FOR TREATING INFLAMMATION S1PR3, S1PR1, S1PR2 GAA 4801/4885MAPT 2739/4885PKM 2933/4885
US-20120071448-A1 S1P3 Receptor Inhibitors for Treating Conditions of the Eye S1PR3, S1PR1, S1PR2 GAA 3898/4885MAPT 3541/4885PKM 3129/4885
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY S1PR3, S1PR1, S1PR2 GAA 4347/4885MAPT 4447/4885PKM 3533/4885

“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.