SCHEMBL6403199

SCHEMBL6403199

CC(C)CC(C(=O)NCC1Cc2c(sc(NC3CCCCO3)c2C(=O)O)CO1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
GCK P35557 1/20 0.37
LMNA P02545 3/20 0.35
RAB7A P51149 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7859830 0.93 ALDH1A1 (0.46) ALDH1A1HTTGAATSHRLMNA
SCHEMBL7860022 0.91 ALDH1A1 (0.43) ALDH1A1HTTGAAUSP2LMNA
SCHEMBL7117916 0.86 ALDH1A1 (0.47) ALDH1A1HTTGAAUSP2TSHR
SCHEMBL7861292 0.82 ALDH1A1 (0.52) ALDH1A1HTTGAAUSP2TSHR
SCHEMBL6322191 0.78 ALDH1A1 (0.46) ALDH1A1HTTLMNARAB7AMAPT
SCHEMBL6396539 0.78 CTSS (0.39) ALDH1A1TSHRRAB7AKDM4EMAPT
SCHEMBL7693393 0.77 POLB (0.38) ALDH1A1HTTGAATSHRRAB7A
SCHEMBL6315441 0.77 ALDH1A1 (0.53) ALDH1A1HTTGAALMNARAB7A
SCHEMBL6318310 0.76 ALDH1A1 (0.44) ALDH1A1HTTGAALMNARAB7A
SCHEMBL7864344 0.76 RAB7A (0.36) ALDH1A1HTTRAB7AHPGDSMN1; 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 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-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 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 3737/4885HTT 511/4885GAA 282/4885

“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.