SCHEMBL3907443

SCHEMBL3907443

COC(=O)COc1cc(-c2ccccc2)sc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
BTK Q06187 1/20 0.52
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TUBB4A P04350 1/20 0.44

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
SCHEMBL3916115 0.87 IKBKB (0.57) IKBKBCYP1A2CYP3A4CYP2C9BTK
SCHEMBL3908026 0.79 ALDH1A1 (0.48) CYP1A2MAPTALDH1A1KDM4EMEN1
SCHEMBL3908385 0.78 MAPT (0.50) CYP1A2CYP2C9MAPTALDH1A1KDM4E
SCHEMBL3910841 0.76 PTPN1 (0.53) IKBKBCYP1A2CYP3A4CYP2C9BTK
Acetic Acid SCHEMBL6266130 0.76 MAPT (0.51) CYP1A2CYP2C9MAPTALDH1A1KDM4E
SCHEMBL9826618 0.75 MAPT (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9826543 0.74 MAPT (0.56) IKBKBCYP1A2CYP3A4CYP2C9BTK
SCHEMBL13867943 0.73 PTPN1 (0.48) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3904788 0.72 MAPT (0.49) IKBKBCYP1A2CYP2C9MAPTALDH1A1
SCHEMBL12495674 0.71 IKBKB (0.68) IKBKBCYP1A2CYP3A4CYP2C9BTK

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM IKBKB 400/4885CYP1A2 2516/4885CYP3A4 2282/4885

“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.