SCHEMBL9997676

SCHEMBL9997676

CC(=O)OCC(C)=Cc1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
POLB P06746 4/20 0.41
LY96 Q9Y6Y9 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 3/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
BCHE P06276 1/20 0.35
MEN1 O00255 2/20 0.34
PLIN1 O60240 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
SCHEMBL9997675 1.00 HSD11B1 (0.42) HSD11B1POLBLY96ALDH1A1SMN1; SMN2
SCHEMBL9997940 0.83 HSD11B1 (0.39) HSD11B1POLBLY96ALDH1A1SMN1; SMN2
SCHEMBL9997543 0.83 HSD11B1 (0.39) HSD11B1POLBLY96ALDH1A1SMN1; SMN2
SCHEMBL9997546 0.83 HSD11B1 (0.39) HSD11B1POLBLY96ALDH1A1SMN1; SMN2
SCHEMBL9997969 0.82 SMN1; SMN2 (0.50) POLBALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL9997971 0.82 SMN1; SMN2 (0.50) POLBALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL9997579 0.81 ALDH1A1 (0.38) POLBALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL9997574 0.81 ALDH1A1 (0.38) POLBALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL9997832 0.81 POLB (0.38) HSD11B1POLBLY96ALDH1A1SMN1; SMN2
SCHEMBL9997830 0.81 POLB (0.38) HSD11B1POLBLY96ALDH1A1SMN1; SMN2

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 HSD11B1 293/4885POLB 2944/4885LY96 4149/4885

“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.