SCHEMBL6399264

SCHEMBL6399264

COc1cccc2c1C(=O)N(CC1Cc3c(sc(NC4CCCCO4)c3C(=O)O)CO1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
GAA P10253 1/20 0.36
RAB7A P51149 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 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
SCHEMBL5843765 0.89 ALDH1A1 (0.38) ALDH1A1GAARAB7ACYP1A2CYP2C9
SCHEMBL7159562 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL5837512 0.86 PTPN1 (0.44) ALDH1A1RAB7A
SCHEMBL7563366 0.85 ALDH1A1 (0.42) ALDH1A1GAATSHRKDM4E
SCHEMBL6225735 0.83 ALDH1A1 (0.37) ALDH1A1RAB7ACYP1A2CYP2C9CYP2C19
SCHEMBL7846887 0.82 ALDH1A1 (0.39) ALDH1A1GAARAB7ATSHRKDM4E
SCHEMBL7567316 0.82 RAB7A (0.33) ALDH1A1RAB7A
SCHEMBL7568404 0.82 ALDH1A1 (0.43) ALDH1A1GAATSHRKDM4EPOLB
SCHEMBL7864191 0.82 ALDH1A1 (0.36) ALDH1A1GAARAB7ACYP1A2CYP2C9
SCHEMBL7862333 0.81 ALDH1A1 (0.47) ALDH1A1GAATSHRKDM4EPOLB

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-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
EP-1214060-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001017516-A2 METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2001-03-15 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885GAA 282/4885RAB7A 3644/4885

“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.