SCHEMBL1004868

SCHEMBL1004868

Nc1c(C(=O)O)ccc(F)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.53
CASP7 P55210 2/20 0.48
G6PD P11413 1/20 0.48
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 1/20 0.44
ESR2 Q92731 1/20 0.44
MMP2 P08253 1/20 0.44
PTPN1 P18031 1/20 0.44
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
KEAP1 Q14145 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CYP1A2 P05177 1/20 0.41
CASP1 P29466 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL12962560 0.83 ALB (0.53) ALBCASP7G6PDCASP6ALDH1A1
SCHEMBL29860864 0.82 SELL (0.56) ALBCASP7G6PDCASP6ALDH1A1
SCHEMBL26963264 0.82 SELL (0.56) ALBCASP7G6PDCASP6ALDH1A1
SCHEMBL6754768 0.81 CES2 (0.50) ALBCASP7G6PDCASP6ALDH1A1
SCHEMBL13315472 0.80 ALB (0.65) ALBALDH1A1MAPTKDM4EMMP2
SCHEMBL17651620 0.79 CASP7 (0.44) ALBCASP7G6PDCASP6ALDH1A1
Hydrochloric Acid SCHEMBL5260757 0.79 CES2 (0.48) ALBCASP7G6PDCASP6ALDH1A1
SCHEMBL7880433 0.78 ALB (0.57) ALBALDH1A1KDM4ESELLSELP
SCHEMBL7697637 0.78 SELL (0.64) CASP7G6PDCASP6ALDH1A1MAPT
SCHEMBL31455903 0.78 ALB (0.57) ALBALDH1A1KDM4ESELLSELP

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
WO-2007054348-A1 NOVEL MEDICAMENTS Ernst-Moritz-Arndt-Universität Greifswald (DE) 2007-05-18 WO claimed
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed
WO-2007054348-A1 NOVEL MEDICAMENTS Ernst-Moritz-Arndt-Universität Greifswald (DE) 2007-05-18 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 (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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A ALB 3276/4885CASP7 3081/4885G6PD 2401/4885

“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.