SCHEMBL646797

SCHEMBL646797

C[Si](C)(C)CCN1C(=O)CN(c2ccc(Cc3cc(F)ccc3F)cc2OCc2ccccc2)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
PPIA P62937 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL649118 0.89 MRGPRX4 (0.33) PTGER1
SCHEMBL647136 0.88 CHRNA7 (0.34) PTGER1ALDH1A1
SCHEMBL3918925 0.86 CHRNA7 (0.33) PTGER1ALDH1A1
SCHEMBL648847 0.86 PTGER1 (0.33) PTGER1ALDH1A1
SCHEMBL649516 0.84 MTNR1A (0.35) ALDH1A1
SCHEMBL647194 0.84 CSF1R (0.32) PTGER1
SCHEMBL646235 0.84 PTGER1 (0.35) PTGER1
SCHEMBL3927122 0.84 FNTA (0.36) PTGER1L3MBTL1ALDH1A1
SCHEMBL647168 0.84 CHRNA7 (0.34) ALDH1A1PKMMAPK1
SCHEMBL646575 0.84 CYP19A1 (0.35) PTGER1ALDH1A1PKMLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 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 (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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR PTGER1 978/4885CA12 4748/4885CA9 3693/4885

“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.