SCHEMBL9998514

SCHEMBL9998514

CCC(=Cc1ccc(Br)cc1)C(OC(C)=O)OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
LMNA P02545 5/20 0.49
MEN1 O00255 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
MAPT P10636 4/20 0.49
MAPK1 P28482 2/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
MAOB P27338 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GPR183 P32249 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 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
SCHEMBL9998513 1.00 KMT2A (0.49) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9997801 0.88 LMNA (0.47) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9997805 0.88 LMNA (0.47) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9998208 0.86 MAOB (0.38) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9998211 0.86 MAOB (0.38) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9998257 0.84 LMNA (0.49) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9998255 0.84 LMNA (0.49) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9997500 0.84 ALDH1A1 (0.44) KMT2ALMNAMEN1MAPTMAPK1
SCHEMBL9997772 0.84 KMT2A (0.41) KMT2ALMNAMEN1NPSR1MAPT
SCHEMBL9997769 0.84 KMT2A (0.41) KMT2ALMNAMEN1NPSR1MAPT

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 KMT2A 2324/4885LMNA 3752/4885MEN1 1032/4885

“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.