SCHEMBL6312674

SCHEMBL6312674

CCCCC(CC)COC(=O)NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 3/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
GRIN2C Q14957 1/20 0.36
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7525566 0.83 SMN1; SMN2 (0.41) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL7516389 0.83 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL6311619 0.82 HSD17B10 (0.41) ALDH1A1CYP3A4TSHRHSD17B10MEN1
SCHEMBL6318495 0.78 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL6313108 0.75 MEN1 (0.38) ALDH1A1CYP3A4TSHRHSD17B10MEN1
SCHEMBL6318638 0.71 MAPT (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6316820 0.71 PPID (0.48) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL6311379 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRHSD17B10MEN1
SCHEMBL6317837 0.70 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL6318548 0.69 FAAH (0.41) ALDH1A1HSD17B10MEN1KMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US claimed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US claimed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP claimed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
WO-1999046244-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 (3 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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO ALDH1A1 3669/4885CYP3A4 2708/4885CA2 2592/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885CYP3A4 2750/4885CA2 2565/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ALDH1A1 2235/4885CYP3A4 1603/4885CA2 3281/4885

“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.