SCHEMBL2595067

SCHEMBL2595067

CCC(=C(C(=O)O)C(=O)O)N(CC)c1ccc(SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.42
GLA P06280 1/20 0.42
NOX1 Q9Y5S8 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TP53 P04637 1/20 0.35
PLK1 P53350 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2475462 0.81 ALDH1A1 (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL545097 0.78 TSHR (0.45) ALDH1A1TSHRGLAKDM4ESMN1; SMN2
SCHEMBL7698910 0.77 ALDH1A1 (0.41) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL16702010 0.77 MEN1 (0.47) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL11463976 0.72 NOX1 (0.41) ALDH1A1TSHRGLANOX1MEN1
SCHEMBL1904633 0.71 POLQ (0.50) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL17769749 0.71 TSHR (0.43) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL7242144 0.70 MAPT (0.49)
SCHEMBL1429977 0.70 ALDH1A1 (0.44) ALDH1A1TSHRGLAMEN1KMT2A
SCHEMBL3165150 0.69 ALDH1A1 (0.59) ALDH1A1TSHRGLAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED 2013-02-28 US 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 (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-20130053375-A1 AMINO-QUINOLINES AS KINASE INHIBITORS ABL1, MAP3K2, MAP4K2 ALDH1A1 3050/4885TSHR 2105/4885GLA 4524/4885

“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.