SCHEMBL601203

SCHEMBL601203

CC1(C)OC(=O)C(=CNc2ccc(I)cc2)C(=O)O1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 17/20 0.73
TSHR P16473 1/20 0.71
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSD17B10 Q99714 3/20 0.55
MAPK1 P28482 2/20 0.55
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CRHBP P24387 1/20 0.45
HTT P42858 1/20 0.45
CRHR2 Q13324 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 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
SCHEMBL12786989 0.85 ALDH1A1 (0.75) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL15555582 0.85 ALDH1A1 (0.75) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL3583405 0.84 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL5739160 0.83 ALDH1A1 (1.00) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL14075911 0.82 ALDH1A1 (0.71) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL3059418 0.81 ALDH1A1 (0.72) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL3583770 0.81 ALDH1A1 (0.69) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL11980657 0.80 ALDH1A1 (0.59) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL2206756 0.80 ALDH1A1 (0.73) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL17059469 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCYP1A2CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190904-A1 Heteroaryl compounds as inhibitors of RIP2 kinase, composition and application thereof ACCRO BIOSCIENCE (HK) LIMITED (HK) 2024-06-13 US disclosed
EP-4322947-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF RIP2 KINASE, COMPOSITION AND APPLICATION THEREOF Accro Bioscience (HK) Limited (HK) 2024-02-21 EP disclosed
WO-2022192760-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF RIP2 KINASE, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2022-09-15 WO disclosed
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC 2016-03-03 US disclosed
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-03 US disclosed
EP-2603218-B1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2016-03-02 EP disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 US disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 US disclosed
US-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2012-02-16 US disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 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 (5 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-20120041024-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 ALDH1A1 3151/4885TSHR 1320/4885CYP1A2 2477/4885
US-20160060222-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ALDH1A1 3050/4885TSHR 2105/4885CYP1A2 2644/4885
US-20160060249-A1 QUINOLYL AMINES AS KINASE INHIBITORS ABL1, MAP3K20, MAP3K19 ALDH1A1 3151/4885TSHR 1320/4885CYP1A2 2477/4885
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ALDH1A1 3050/4885TSHR 2105/4885CYP1A2 2644/4885
US-20240190904-A1 Heteroaryl compounds as inhibitors of RIP2 kinase, composition and application thereof RIPK2, RIPK1, RIPK3 ALDH1A1 4732/4885TSHR 3895/4885CYP1A2 4063/4885

“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.