SCHEMBL8875853

SCHEMBL8875853

COC(=O)CC(=O)c1cc(F)c(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALPL P05186 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL29943543 0.98 GAA (0.47) GAALMNAPOLBAPEX1MAPT
SCHEMBL28816302 0.98 GAA (0.47) GAALMNAPOLBAPEX1MAPT
SCHEMBL9186659 0.92 GAA (0.56) GAALMNAPOLBAPEX1MAPT
SCHEMBL4714980 0.86 TDP1 (0.42) GAALMNAPOLBAPEX1MAPT
SCHEMBL10778540 0.86 NPC1 (0.43) GAALMNAMAPTSMN1; SMN2HPGD
SCHEMBL9128560 0.81 ERCC5 (0.41) GAALMNAPOLBAPEX1MAPT
SCHEMBL28076474 0.79 TSHR (0.47) LMNAPOLBAPEX1MAPTSMN1; SMN2
SCHEMBL9248547 0.79 ALPL (0.50) GAALMNAPOLBAPEX1MAPT
SCHEMBL8876484 0.79 GAA (0.42) GAALMNAPOLBAPEX1MAPT
SCHEMBL8877353 0.79 GAA (0.41) GAALMNAPOLBAPEX1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114105792-B Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2023-03-31 CN claimed
CN-114105792-A Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2022-03-01 CN claimed
CN-114105792-B Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2023-03-31 CN disclosed
CN-114105792-B Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2023-03-31 CN disclosed
CN-114920660-B Synthesis method of cyclopropanecarboxylic acid intermediate 山东国邦药业有限公司 2022-10-25 CN disclosed
CN-114920660-A Method for synthesizing cyclopropanecarboxylic acid intermediate 山东国邦药业有限公司 2022-08-19 CN disclosed
CN-114105792-A Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2022-03-01 CN disclosed
CN-114105792-A Preparation method of ciprofloxacin key intermediate 山东国邦药业有限公司 2022-03-01 CN disclosed
CN-107151242-B 2-azolothiochromone compound, synthesis method thereof and application thereof in preparation of antifungal drugs 南京工业大学 2020-05-22 CN disclosed
US-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF SOOCHOW UNIVERSITY (CN) 2015-08-27 US disclosed
EP-2889294-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF Soochow University (CN) 2015-07-01 EP disclosed
US-5672708-A Process for the preparation of N-arylaminoacrylic acid derivatives and the use of N-arylaminoacrylic acid derivatives thus prepared for the preparation of 4-quinolone-3-carboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed
US-4611080-A Preparation of halogenated aroylacetic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1986-09-09 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-20150239864-A1 3H-1,2-DITHIOCYCLOPENTENE-3-THIOKETONE COMPOUNDS AND APPLICATION THEREOF TXN2, TXN, TXNRD2 GAA 4281/4885LMNA 3765/4885POLB 4077/4885

“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.