SCHEMBL9998137

SCHEMBL9998137

CC(=O)OC/C(C)=C/c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
CYP1A2 P05177 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.43
TRPA1 O75762 7/20 0.42
ABCB11 O95342 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD11B1 P28845 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
SCHEMBL9998139 1.00 MAPT (0.53) MAPTCYP1A2LMNAMEN1CYP2C9
SCHEMBL9998157 0.84 LMNA (0.41) MAPTCYP1A2LMNAMEN1CYP2C9
SCHEMBL9998159 0.84 LMNA (0.41) MAPTCYP1A2LMNAMEN1CYP2C9
SCHEMBL9998618 0.83 CYP2C9 (0.46) CYP1A2CYP2C9TRPA1ALDH1A1L3MBTL1
SCHEMBL9998619 0.83 CYP2C9 (0.46) CYP1A2CYP2C9TRPA1ALDH1A1L3MBTL1
SCHEMBL9997740 0.83 LMNA (0.53) MAPTCYP1A2LMNAMEN1CYP2C9
SCHEMBL9997743 0.83 LMNA (0.53) MAPTCYP1A2LMNAMEN1CYP2C9
SCHEMBL5454170 0.82 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1
SCHEMBL5454169 0.82 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1
SCHEMBL9998463 0.82 CYP1A2 (0.53) MAPTCYP1A2LMNAMEN1CYP2C9

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 MAPT 2206/4885CYP1A2 19/4885LMNA 3752/4885

“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.