SCHEMBL6716780

SCHEMBL6716780

CC(C)c1ccc(NC(=O)C(NC(=O)O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
PTPN11 Q06124 1/20 0.56
ALDH1A1 P00352 6/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 3/20 0.50
MAPT P10636 2/20 0.50
EGFR P00533 1/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6718828 0.88 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL6715920 0.87 POLB (0.61) ALDH1A1TSHRSMN1; SMN2RAB9AMAPT
SCHEMBL6715725 0.86 MEN1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6715776 0.84 KLK7 (0.61) CRHBPCRHR2ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8334434 0.83 CTSS (0.59) CRHBPCRHR2PTPN1PTPN6PTPN11
SCHEMBL6715851 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL6722753 0.81 MEN1 (0.56) ALDH1A1TSHRSMN1; SMN2CYP1A2CYP3A4
SCHEMBL6719138 0.80 KMT2A (0.59) ALDH1A1SMN1; SMN2MAPTTP53POLB
SCHEMBL20491293 0.80 POLB (0.49) CRHBPCRHR2SMN1; SMN2CYP1A2CYP3A4
SCHEMBL6720054 0.79 RAB9A (0.55) RAB9AMAPTTP53NPC1POLB

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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 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 (2 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 CRHBP 1808/4885CRHR2 1096/4885PTPN1 3374/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 CRHBP 1701/4885CRHR2 862/4885PTPN1 3270/4885

“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.