SCHEMBL2117516

SCHEMBL2117516

Cc1cc(=O)c(OCc2ccccc2)c(C(=O)O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLRA1 P23415 1/20 0.42
PTPN1 P18031 1/20 0.42
NR4A2 P43354 2/20 0.41
SRD5A2 P31213 3/20 0.41
PTGER1 P34995 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL3360264 0.89 POLB (0.47) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL23843851 0.85 BRD4 (0.46) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL2981884 0.80 PDE2A (0.47) ALDH1A1HSD17B10USP2TSHRLMNA
SCHEMBL28223501 0.78 POLB (0.49) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL3420123 0.78 ALDH1A1 (0.48) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL10590979 0.78 POLB (0.56) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL10188488 0.75 POLB (0.64) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL23512926 0.75 POLB (0.52) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL27371374 0.75 ALDH1A1 (0.56) POLBALDH1A1HSD17B10USP2TSHR
SCHEMBL23512777 0.73 LMNA (0.57) POLBALDH1A1HSD17B10USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2022-11-08 US disclosed
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-09-23 US disclosed
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-01-12 US disclosed
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-11 US disclosed
EP-2134688-B1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC (CA) 2016-10-05 EP disclosed
US-8673943-B2 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. (CA) 2014-03-18 US disclosed
US-20120095061-A1 Fluorinated Derivatives of Deferiprone APOTEX TECHNOLOGIES INC. (CA) 2012-04-19 US disclosed
US-8026261-B2 neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one APOTEX TECHNOLOGIES INC. (CA) 2011-09-27 US disclosed
EP-2134688-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE Apotex Technologies Inc. (CA) 2009-12-23 EP disclosed
WO-2008116301-A1 FLUORINATED DERIVATIVES OF DEFERIPRONE APOTEX TECHNOLOGIES INC. (CA) 2008-10-02 WO disclosed
US-20080242706-A1 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. 2008-10-02 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 (6 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-11492352-B2 Arenavirus growth inhibitor comprising polycyclic carbamoylpyridone derivative LUC7L2, CXCR6, RRP12 POLB 2711/4885ALDH1A1 4161/4885HSD17B10 1779/4885
US-20190106398-A1 COMPOSITIONS AND METHODS FOR INHIBITING INFLUENZA RNA POLYMERASE PA ENDONUCLEASE POLRMT, RNASE1, POLM POLB 15/4885ALDH1A1 2389/4885HSD17B10 2782/4885
US-20080242706-A1 Fluorinated derivatives of deferiprone SLC40A1, TFRC, FECH POLB 4566/4885ALDH1A1 631/4885HSD17B10 1017/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH POLB 4566/4885ALDH1A1 631/4885HSD17B10 1017/4885
US-20210292321-A1 ARENAVIRUS GROWTH INHIBITOR COMPRISING POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE CCNA1, CDK7, CCR10 POLB 2261/4885ALDH1A1 4074/4885HSD17B10 1486/4885
US-10889556-B2 Compositions and methods for inhibiting influenza RNA polymerase PA endonuclease POLRMT, RNASE1, POLM POLB 15/4885ALDH1A1 2389/4885HSD17B10 2782/4885

“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.