SCHEMBL7516389

SCHEMBL7516389

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIN2C Q14957 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
LMNA P02545 2/20 0.37
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL6316825 0.87 HSD17B10 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL6312575 0.86 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL6318495 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL6311619 0.85 HSD17B10 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL6317640 0.84 GRIN2C (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL6312674 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL7525566 0.82 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ACSNK2A2
SCHEMBL6312573 0.82 PTPN2 (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL6313108 0.81 MEN1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C
SCHEMBL6311428 0.81 PTPN2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AGRIN2C

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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3669/4885SMN1; SMN2 1660/4885MEN1 3299/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885SMN1; SMN2 1576/4885MEN1 3307/4885

“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.