SCHEMBL1176465

SCHEMBL1176465

NC(CCc1cc2ccccc2o1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.46
FLT3 P36888 1/20 0.46
PIN1 Q13526 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44
HTR2B P41595 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTR1A P08908 1/20 0.43
HPGD P15428 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL4784337 0.85 PIN1 (0.54) LOXL2AGXTFLT3PIN1NPC1
SCHEMBL7888402 0.85 PIN1 (0.54) LOXL2AGXTFLT3PIN1NPC1
Hydrochloric Acid SCHEMBL8578217 0.84 PIN1 (0.53) LOXL2AGXTFLT3PIN1NPC1
SCHEMBL26987879 0.82 SLC1A5 (0.46) LOXL2ALDH1A1SMN1; SMN2HPGD
SCHEMBL27134734 0.82 SLC1A5 (0.46) LOXL2ALDH1A1SMN1; SMN2HPGD
SCHEMBL7248298 0.76 LOXL2 (0.53) LOXL2AGXTFLT3PIN1NPC1
SCHEMBL7140949 0.75 LOXL2 (0.56) LOXL2AGXTFLT3NPC1RAB9A
SCHEMBL29622317 0.74 LOXL2 (0.55) LOXL2AGXTHTR2BSMN1; SMN2HTR1A
SCHEMBL10368235 0.74 LOXL2 (0.55) LOXL2AGXTFLT3PIN1NPC1
SCHEMBL23804835 0.74 CYP1A2 (0.51) LOXL2AGXTFLT3NPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888330-B2 Phosphoramidate derivatives of FAU WAYNE STATE UNIVERSITY (US) 2011-02-15 US disclosed
US-20080292553-A1 Phosphoramidate Derivatives of Fau NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-11-27 US disclosed
WO-2008073450-A2 BENZAMIDE COMPOUNDS GEORGETOWN UNIVERSITY (US) 2008-06-19 WO disclosed
WO-2007056596-A2 PHOSPHORAMIDATE DERIVATIVES OF FAU WAYNE STATE UNIVERSITY (US) 2007-05-18 WO disclosed
US-20060194814-A1 Benzamide compounds GEORGETOWN UNIVERSITY 2006-08-31 US disclosed
US-20060194815-A1 Methods and compositions for modulating serum cortisol levels GEORGETOWN UNIVERSITY 2006-08-31 US disclosed
WO-2005112922-A9 BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS (US) 2006-03-09 WO disclosed
EP-1631289-A2 ANTI-HIV BENZAMIDE COMPOUNDS Samaritan Pharmaceuticals, Inc. (US) 2006-03-08 EP disclosed
EP-1628660-A2 METHODS AND COMPOSITIONS FOR MODULATING SERUM CORTISOL LEVELS Samaritan Pharmaceuticals, Inc. (US) 2006-03-01 EP disclosed
WO-2005112922-A2 BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS (US) 2005-12-01 WO disclosed
WO-2005000205-A2 METHODS AND COMPOSITIONS FOR MODULATING SERUM CORTISOL LEVELS SAMARITAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO disclosed
WO-2004108076-A2 ANTI-HIV BENZAMIDE COMPOUNDS SAMARITAN PHARMACEUTICALS, INC. (US) 2004-12-16 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-20060194815-A1 Methods and compositions for modulating serum cortisol levels CRH, SERPINA6, BCHE LOXL2 2042/4885AGXT 987/4885FLT3 4870/4885
US-20080292553-A1 Phosphoramidate Derivatives of Fau DUT, FAU, DPYD LOXL2 4742/4885AGXT 2182/4885FLT3 505/4885
US-20060194814-A1 Benzamide compounds PIGS, BCAT2, GBA1 LOXL2 2848/4885AGXT 1578/4885FLT3 1170/4885

“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.