SCHEMBL6320149

SCHEMBL6320149

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
PLAU P00749 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TGM2 P21980 1/20 0.40
MGLL Q99685 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRA P18433 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL8226063 0.91 PLAU (0.46) SMN1; SMN2LMNAPLAUHTTALDH1A1
SCHEMBL6318265 0.87 KMT2A (0.41) SMN1; SMN2HTTALDH1A1MAPTTGM2
SCHEMBL6318762 0.84 HSD17B10 (0.45) HTTALDH1A1HDAC1MAPTPTPN2
SCHEMBL6316825 0.83 HSD17B10 (0.48) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL6310340 0.83 LMNA (0.49) SMN1; SMN2LMNAALDH1A1MAPTNPSR1
SCHEMBL6313108 0.81 MEN1 (0.38) SMN1; SMN2HTTALDH1A1MAPTPTPN2
SCHEMBL7516389 0.81 ALDH1A1 (0.40) SMN1; SMN2LMNAHTTALDH1A1HDAC1
SCHEMBL6317833 0.79 NPSR1 (0.55) SMN1; SMN2LMNAALDH1A1MAPTNPSR1
SCHEMBL7686880 0.79 KMT2A (0.41) SMN1; SMN2PLAUHTTMAPTTGM2
SCHEMBL7525566 0.79 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1

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-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 SMN1; SMN2 1660/4885LMNA 4790/4885PLAU 1095/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA SMN1; SMN2 1576/4885LMNA 4783/4885PLAU 1111/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 SMN1; SMN2 1880/4885LMNA 4870/4885PLAU 2999/4885

“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.