SCHEMBL5469287

SCHEMBL5469287

COc1c(F)c(F)cc(C(=O)CC(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
STING1 Q86WV6 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL966496 0.82 ALDH1A1 (0.54) MEN1KMT2AHSD17B1HSD17B2ALDH1A1
SCHEMBL30181119 0.82 ALDH1A1 (0.54) MEN1KMT2AHSD17B1HSD17B2ALDH1A1
SCHEMBL607945 0.81 HSD17B10 (0.44) MEN1KMT2AHSD17B1HSD17B2NR1H2
Hydrochloric Acid SCHEMBL31579091 0.81 CRBN (0.34) CRBNMEN1KMT2ASTING1FFAR1
SCHEMBL26690754 0.80 ALDH1A1 (0.42) MEN1KMT2AHSD17B1HSD17B2ALDH1A1
SCHEMBL2831221 0.80 KDM4E (0.45) CRBNMEN1KMT2AHSD17B1HSD17B2
SCHEMBL27927680 0.80 HSD17B10 (0.43) MEN1KMT2AHSD17B1HSD17B2NR1H2
SCHEMBL30194898 0.79 PTPN1 (0.38) CRBNALDH1A1SMN1; SMN2
SCHEMBL1187294 0.79 PTPN1 (0.38) CRBNALDH1A1SMN1; SMN2
Methylene Chloride SCHEMBL28420789 0.79 HSD17B10 (0.40) MEN1KMT2AHSD17B1HSD17B2NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716373-B Preparation method of gatifloxacin cyclized ester 内蒙古源宏精细化工有限公司 2023-01-10 CN disclosed
CN-114716373-A Preparation method of gatifloxacin cyclized ester 内蒙古源宏精细化工有限公司 2022-07-08 CN disclosed
WO-2014185881-A1 METHOD FOR PRODUCING (1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINE-CARBOXYLIC ACID DERKACH NATALIIA MYKOLAIVNA (UA) 2014-11-20 WO disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 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 (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-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP CRBN 2049/4885MEN1 4540/4885KMT2A 539/4885

“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.