SCHEMBL2829301

SCHEMBL2829301

CCOC(=O)c1ncsc1Nc1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.44
ILK Q13418 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39

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
SCHEMBL2825838 0.86 BRD4 (0.43) ILKALDH1A1HPGDKDM4EGLA
SCHEMBL2825604 0.86 SMN1; SMN2 (0.47) ILKALDH1A1HPGDKDM4ETSHR
SCHEMBL2828016 0.85 METTL3 (0.44) NLRP3ILKALDH1A1KDM4EGAA
SCHEMBL2827633 0.81 HTT (0.53) ILKALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL2829177 0.81 KDM4E (0.54) ILKALDH1A1HPGDKDM4EGAA
SCHEMBL2827894 0.80 ILK (0.66) ILKALDH1A1HPGDKDM4EGAA
SCHEMBL2825731 0.79 KDM4E (0.45) ALDH1A1KDM4EMAPTRAB9AKMT2A
SCHEMBL2828951 0.79 TSHR (0.50) ILKALDH1A1HPGDKDM4EGAA
SCHEMBL3315942 0.79 ALDH1A1 (0.42) NLRP3ILKALDH1A1HPGDKDM4E
SCHEMBL2825669 0.79 TSHR (0.44) ILKALDH1A1HPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 NLRP3 2474/4885ILK 4686/4885ALDH1A1 913/4885

“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.