SCHEMBL4266433

SCHEMBL4266433

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
CA2 P00918 3/20 0.51
CA1 P00915 2/20 0.51
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ACE P12821 4/20 0.48
MME P08473 2/20 0.48
CPA1 P15085 2/20 0.48
ACE2 Q9BYF1 2/20 0.48
HPGDS O60760 1/20 0.47
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL4271270 0.88 MEN1 (0.49) PTPN1CA2CA1CTSBCTSS
SCHEMBL4271264 0.88 MEN1 (0.49) PTPN1CA2CA1CTSBCTSS
SCHEMBL8196220 0.82 PTPN1 (0.74) PTPN1CA2CA1CTSBCTSS
SCHEMBL2632872 0.82 PTPN1 (0.74) PTPN1CA2CA1CTSBCTSS
SCHEMBL4267863 0.79 KMO (0.48) PTPN1MMECPA1
SCHEMBL10033681 0.77 PTPN1 (0.69) PTPN1CA2CA1CTSBCTSS
SCHEMBL6857183 0.77 PTPN1 (0.69) PTPN1CA2CA1CTSBCTSS
SCHEMBL528464 0.75 ACE (0.76) PTPN1CA2CA1CTSSCTSK
SCHEMBL111235 0.75 ACE (0.76) PTPN1CA2CA1CTSSCTSK
SCHEMBL111236 0.75 ACE (0.76) PTPN1CA2CA1CTSSCTSK

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
JP-2006525365-A 2006-11-09 JP claimed
EP-1620422-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes for Pharmaceutical Discovery, LLC (US) 2006-02-01 EP claimed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US claimed
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 US claimed
WO-2004099170-A2 PHENYL SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 WO claimed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-20090082392-A1 Substituted Carboxylic Acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2009-03-26 US disclosed
US-7358364-B2 treatment of diabetes and/or cancer; useful in the treatment of syndrome X; capable of inhibiting Protein tyrosine phosphatase THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
US-20040266788-A1 Substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-12-30 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-20040266788-A1 Substituted carboxylic acids PTP4A1, PTPRS, G6PC1 PTPN1 11/4885CA2 882/4885CA1 1086/4885
US-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO PTPN1 18/4885CA2 2438/4885CA1 2768/4885
US-20090082392-A1 Substituted Carboxylic Acids PTPRJ, PTPRS, PTPRG PTPN1 16/4885CA2 795/4885CA1 1388/4885

“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.