SCHEMBL266499

SCHEMBL266499

CC(Cc1ccccn1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.67
CYP1A2 P05177 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
TSHR P16473 2/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
FDPS P14324 1/20 0.53
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS1 P23219 1/20 0.46

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
SCHEMBL14962122 1.00 PTPRA (0.67) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL23732839 0.86 PTPRA (0.57) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL20565432 0.86 PTPRA (0.57) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL26945300 0.86 PTPRA (0.57) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL10764744 0.85 PTPRA (0.57) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL9366687 0.84 PTPRA (0.56) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL22421038 0.84 PTPRA (0.56) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL9772 0.84 PTPRA (0.56) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
SCHEMBL9366695 0.82 PTPRA (0.53) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6
Cadaverine Tartrate SCHEMBL28543828 0.81 PTPRA (0.66) PTPRACYP1A2SMN1; SMN2TSHRCYP2D6

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3078656-B1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2020-07-01 EP disclosed
US-10118920-B2 Isoxazolyl substituted benzimidazoles CELLCENTRIC LTD (GB) 2018-11-06 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
EP-3286183-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
EP-2812345-B1 METHOD OF SYNTHESIZING PEPTIDES, PROTEINS AND BIOCONJUGATES UNIV NANYANG TECH (SG) 2017-11-22 EP disclosed
US-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2017-05-04 US disclosed
US-9579307-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2017-02-28 US disclosed
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
WO-2016170324-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
US-9453044-B2 Method of synthesizing peptides, proteins and bioconjugates NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-09-27 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
WO-2013119184-A1 METHOD OF SYNTHESIZING PEPTIDES, PROTEINS AND BIOCONJUGATES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-08-15 WO disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-20130109866-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-05-02 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 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 (7 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-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 PTPRA 3348/4885CYP1A2 4274/4885SMN1; SMN2 4613/4885
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP PTPRA 3669/4885CYP1A2 4100/4885SMN1; SMN2 4294/4885
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 PTPRA 860/4885CYP1A2 1317/4885SMN1; SMN2 4576/4885
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 PTPRA 2508/4885CYP1A2 2680/4885SMN1; SMN2 3712/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 PTPRA 852/4885CYP1A2 2147/4885SMN1; SMN2 4563/4885
US-10118920-B2 Isoxazolyl substituted benzimidazoles EP300, HDAC3, HDAC1 PTPRA 2508/4885CYP1A2 2680/4885SMN1; SMN2 3712/4885
US-20130109866-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 PTPRA 3348/4885CYP1A2 4274/4885SMN1; SMN2 4613/4885

“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.