SCHEMBL4577014

SCHEMBL4577014

CS(=O)(=O)Nc1ccc(NC(=O)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTPN6 P29350 1/20 0.49
PGR P06401 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
NR3C2 P08235 1/20 0.47
CYP19A1 P11511 2/20 0.47
PTGS2 P35354 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL19329702 0.84 KEAP1 (0.59) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL395543 0.81 RXFP1 (0.57) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL10495628 0.81 PTPN11 (0.74) PTPN1PTPN11CYP19A1
SCHEMBL10868056 0.80 HPGD (0.67) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL2746243 0.79 CA12 (0.47) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL19808251 0.78 CA1 (0.57) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL12054668 0.78 KEAP1 (0.75) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL5352341 0.78 MEN1 (0.56) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL14365948 0.77 PIP4K2A (0.70) KEAP1KDM4ELMNAHPGDALDH1A1
SCHEMBL27982693 0.77 MEN1 (0.69) KEAP1PTPN1KDM4ELMNAHPGD

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-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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 (1 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C KEAP1 3086/4885PTPN1 1271/4885PTPN11 1660/4885

“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.