SCHEMBL9998511

SCHEMBL9998511

CC(=O)OC(OC(C)=O)/C(=C/c1ccc(Cl)cc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
KLK7 P49862 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
NOS2 P35228 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 1/20 0.42
CYP2C9 P11712 2/20 0.41
NLRP3 Q96P20 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA3 P22001 1/20 0.39
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL9998515 1.00 LMNA (0.45) LMNAGAAHTTKLK7L3MBTL1
SCHEMBL9998025 0.90 CYP3A4 (0.50) GAATSHRCNR2CYP2C9CYP3A4
SCHEMBL9998023 0.90 CYP3A4 (0.50) GAATSHRCNR2CYP2C9CYP3A4
SCHEMBL9998436 0.89 CNR2 (0.48) LMNAHTTL3MBTL1TSHRCNR2
SCHEMBL9997840 0.88 TSHR (0.45) LMNAL3MBTL1MAPTTSHRTDP1
SCHEMBL9997838 0.88 TSHR (0.45) LMNAL3MBTL1MAPTTSHRTDP1
SCHEMBL9997558 0.86 TSHR (0.44) LMNAL3MBTL1MAPTTSHRTDP1
SCHEMBL9997923 0.86 TSHR (0.44) LMNAL3MBTL1MAPTTSHRCNR2
SCHEMBL9998089 0.86 ALDH1A1 (0.46) LMNAL3MBTL1MAPTTSHRNOS2
SCHEMBL9998091 0.86 ALDH1A1 (0.46) LMNAL3MBTL1MAPTTSHRNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 LMNA 3752/4885GAA 2564/4885HTT 1667/4885

“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.