SCHEMBL6311379

SCHEMBL6311379

CC(C)NC(=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 6/20 0.42
GRIN2C Q14957 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN2 P17706 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
MAPT P10636 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 3/20 0.33
PTPN1 P18031 2/20 0.33
PTPRF P10586 1/20 0.33
PTPRA P18433 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL6316701 0.85 ALDH1A1 (0.46) ALDH1A1GRIN2CMEN1KMT2ASMN1; SMN2
SCHEMBL6318611 0.82 GRIN2C (0.44) ALDH1A1GRIN2CMEN1KMT2ASMN1; SMN2
SCHEMBL6312575 0.81 ALDH1A1 (0.41) ALDH1A1GRIN2CMEN1KMT2ASMN1; SMN2
SCHEMBL6312363 0.81 SOAT1 (0.46) ALDH1A1
SCHEMBL6318495 0.81 ALDH1A1 (0.44) ALDH1A1GRIN2CMEN1KMT2ASMN1; SMN2
SCHEMBL6310340 0.80 LMNA (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2PTPN2
SCHEMBL6319180 0.80 RAB9A (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2PTPN2
SCHEMBL7516389 0.80 ALDH1A1 (0.40) ALDH1A1GRIN2CMEN1KMT2ASMN1; SMN2
SCHEMBL6319441 0.79 EPHX1 (0.47) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL6316820 0.78 PPID (0.48) ALDH1A1GRIN2CMEN1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US claimed
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-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

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 3669/4885GRIN2C 1305/4885MEN1 3299/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA ALDH1A1 3737/4885GRIN2C 1348/4885MEN1 3307/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 ALDH1A1 2235/4885GRIN2C 971/4885MEN1 4004/4885

“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.