SCHEMBL646608

SCHEMBL646608

CCc1ccnc(Cc2ccc(N3CC(=O)N(CC[Si](C)(C)C)S3(=O)=O)c(OCc3ccccc3)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PTGER1 P34995 1/20 0.31
CHRNA7 P36544 2/20 0.31
BCHE P06276 1/20 0.30
LIPC P11150 1/20 0.30
LIPE Q05469 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL647136 0.90 CHRNA7 (0.34) ACHECYP19A1CYP11B1CYP11B2MEN1
SCHEMBL3917894 0.86 TRPV3 (0.34) ACHECYP19A1CYP11B1CYP11B2HSD17B10
SCHEMBL647168 0.85 CHRNA7 (0.34) ACHECYP19A1CYP11B1CYP11B2MEN1
SCHEMBL646575 0.85 CYP19A1 (0.35) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL649401 0.85 ACHE (0.34) ACHEMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL3918925 0.84 CHRNA7 (0.33) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL648847 0.84 PTGER1 (0.33) CYP19A1CYP11B1CYP11B2HSD17B10ALDH1A1
SCHEMBL3928633 0.84 CYP19A1 (0.35) ACHECYP19A1CYP11B1CYP11B2HSD17B10
SCHEMBL649516 0.84 MTNR1A (0.35) ACHECYP19A1CYP11B1CYP11B2HSD17B10
SCHEMBL3927311 0.83 CYP19A1 (0.36) ACHECYP19A1CYP11B1CYP11B2ALDH1A1

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-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
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2007-06-14 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR ACHE 1561/4885CYP19A1 1947/4885CYP11B1 1789/4885

“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.