SCHEMBL6320125

SCHEMBL6320125

O=C(NCc1cc(C(=O)O)c(NC(=O)C(=O)O)s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.49
MTOR P42345 2/20 0.44
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.40
GRIN2C Q14957 1/20 0.38
P2RX1 P51575 1/20 0.37
GRIK1 P39086 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACP1 P24666 1/20 0.36
NAMPT P43490 1/20 0.36
TACR1 P25103 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36

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
SCHEMBL6313409 0.89 GRIK1 (0.51) MTORMAPTLMNAGRIK1MEN1
SCHEMBL6319180 0.82 RAB9A (0.45) MAPTGRIK1MEN1KMT2ANAMPT
SCHEMBL6319032 0.81 GRIK1 (0.52) GRIK1MEN1KMT2A
SCHEMBL6311192 0.78 MEN1 (0.54) MAPTMEN1KMT2A
SCHEMBL6318611 0.78 GRIN2C (0.44) MAPTGRIN2CMEN1KMT2A
SCHEMBL6316701 0.77 ALDH1A1 (0.46) MAPTGRIN2CMEN1KMT2A
SCHEMBL6311622 0.76 HTT (0.52) MAPTMEN1KMT2A
SCHEMBL6312106 0.76 MEN1 (0.49) MAPTMEN1KMT2ANAMPT
SCHEMBL6310340 0.75 LMNA (0.49) MAPTLMNAMEN1KMT2A
SCHEMBL6311379 0.75 ALDH1A1 (0.42) MAPTGRIN2CMEN1KMT2A

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 GPR35 1740/4885MTOR 1644/4885MAPT 540/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA GPR35 1716/4885MTOR 1615/4885MAPT 475/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 GPR35 1492/4885MTOR 906/4885MAPT 626/4885

“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.