SCHEMBL6154909

SCHEMBL6154909

COC(=O)Cc1ccc(Oc2cccc(N=C=S)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
MMP9 P14780 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LMNA P02545 1/20 0.40
FFAR1 O14842 1/20 0.40
MTNR1B P49286 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MTNR1A P48039 3/20 0.39
P2RX3 P56373 1/20 0.39
ESR1 P03372 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
VDR P11473 1/20 0.39
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL11627635 0.84 SLC7A5 (0.48) SMN1; SMN2CYP4F2CYP4A11ALDH1A1MEN1
SCHEMBL3192546 0.78 SRD5A2 (0.58) SMN1; SMN2MMP9CYP4F2CYP4A11FFAR1
SCHEMBL4956695 0.78 MAOB (0.51) SMN1; SMN2MMP9CYP4F2CYP4A11LMNA
SCHEMBL6242743 0.76 FFAR1 (0.53) SMN1; SMN2FFAR1ALDH1A1ESR1THRA
SCHEMBL31657190 0.76 AKR1C3 (0.62) ALDH1A1KMT2A
SCHEMBL2893673 0.76 MIF (0.57) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL29444412 0.76 MIF (0.50) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL6153919 0.75 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1L3MBTL1MEN1
SCHEMBL5213552 0.74 SLC7A5 (0.55) SMN1; SMN2FFAR1ALDH1A1MEN1KMT2A
SCHEMBL4959727 0.73 MAPT (0.55) SMN1; SMN2LMNAALDH1A1L3MBTL1MEN1

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
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP SMN1; SMN2 2211/4885MMP9 4823/4885CYP4F2 2763/4885

“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.