SCHEMBL9997802

SCHEMBL9997802

CC/C(=C\c1ccc(Br)cc1)COC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
LMNA P02545 5/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MAPK1 P28482 2/20 0.53
S1PR4 O95977 1/20 0.53
S1PR1 P21453 1/20 0.53
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAOB P27338 1/20 0.37
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9997806 1.00 KMT2A (0.53) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9997870 0.88 LMNA (0.50) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9997872 0.88 LMNA (0.50) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9998443 0.86 LMNA (0.40) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9998444 0.86 LMNA (0.40) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9998463 0.84 CYP1A2 (0.53) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9998299 0.84 KMT2A (0.41) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9998243 0.84 CYP2C9 (0.43) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9998300 0.84 KMT2A (0.41) KMT2ALMNAMEN1MAPTNPSR1
SCHEMBL9998465 0.84 CYP1A2 (0.53) KMT2ALMNAMEN1MAPTNPSR1

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.