SCHEMBL266573

SCHEMBL266573

Cc1sccc1SCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.44
FFAR1 O14842 1/20 0.42
KDM4E B2RXH2 3/20 0.41
CTSB P07858 1/20 0.40
ELANE P08246 1/20 0.40
DUSP3 P51452 1/20 0.40
S100A4 P26447 1/20 0.40
CDC25B P30305 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTPRC P08575 1/20 0.39
NOTUM Q6P988 2/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CSNK2A2 P19784 1/20 0.38

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
SCHEMBL8636659 0.82 KMT2A (0.42) KMT2ACYP1A2L3MBTL1PTPRCHPGD
SCHEMBL5632525 0.79 CYP1A2 (0.46) KMT2ACYP1A2FFAR1KDM4ECDC25B
SCHEMBL9737711 0.75 KMT2A (0.36) KMT2ACDC25BL3MBTL1PTPRCHPGD
SCHEMBL29956829 0.75 CYP1A2 (0.42) KMT2ACYP1A2FFAR1KDM4ECDC25B
SCHEMBL9350805 0.74 CYP1A2 (0.44) KMT2ACYP1A2FFAR1KDM4ECTSB
SCHEMBL5990361 0.74
SCHEMBL22832573 0.74 CYP1A2 (0.41) KMT2ACYP1A2FFAR1KDM4EPTPRC
SCHEMBL1158753 0.73 KMT2A (0.43) KMT2ACYP1A2FFAR1KDM4EL3MBTL1
SCHEMBL1660158 0.69 CYP1A2 (0.61) KMT2ACYP1A2FFAR1KDM4ES100A4
SCHEMBL14273063 0.69 CYP1A2 (0.73) KMT2ACYP1A2FFAR1KDM4ES100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 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
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 KMT2A 2966/4885CYP1A2 1317/4885FFAR1 1064/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 KMT2A 2967/4885CYP1A2 2147/4885FFAR1 963/4885

“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.