SCHEMBL6317495

SCHEMBL6317495

CCOC(=O)C(C(C)=O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.40
KEAP1 Q14145 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
RORC P51449 1/20 0.38
PIN1 Q13526 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL1432886 0.92 MMP8 (0.45) MMP8ALDH1A1PKMSMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL28191013 0.89 MMP8 (0.43) MMP8ALDH1A1PKMSMN1; SMN2HSD17B10
SCHEMBL12264634 0.89 MMP8 (0.43) MMP8ALDH1A1PKMSMN1; SMN2HSD17B10
SCHEMBL11559658 0.87 HPGD (0.42) ALDH1A1ALOX5KEAP1CES2CES1
SCHEMBL5145181 0.84 ALDH1A1 (0.40) MMP8ALDH1A1PKMSMN1; SMN2HSD17B10
Pyridine SCHEMBL28854067 0.83 MMP8 (0.42) MMP8ALDH1A1PKMSMN1; SMN2HSD17B10
SCHEMBL5143523 0.82 ALDH1A1 (0.46) MMP8ALDH1A1PKMSMN1; SMN2HSD17B10
SCHEMBL2474796 0.82 NPC1 (0.47) MMP8ALDH1A1SMN1; SMN2HSD17B10KEAP1
SCHEMBL26066472 0.81 ALDH1A1 (0.45) MMP8ALDH1A1PKMHSD17B10PIN1
SCHEMBL3407961 0.80 ALOX5 (0.45) ALDH1A1SMN1; SMN2HSD17B10ALOX5KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 MMP8 3830/4885ALDH1A1 2550/4885PKM 2012/4885

“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.