SCHEMBL9998110

SCHEMBL9998110

CCCCC=CC(OC(C)=O)OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRKCA P17252 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FAAH O00519 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9998108 1.00 CYP3A4 (0.41) CYP3A4MEN1KMT2AF7F3
SCHEMBL9997799 0.94 MEN1 (0.47) CYP3A4MEN1KMT2AMAPTTP53
SCHEMBL9997803 0.94 MEN1 (0.47) CYP3A4MEN1KMT2AMAPTTP53
SCHEMBL9997415 0.93 KMT2A (0.50) CYP3A4MEN1KMT2AF7F3
SCHEMBL9997417 0.93 KMT2A (0.50) CYP3A4MEN1KMT2AF7F3
SCHEMBL9997166 0.93 KMT2A (0.50) CYP3A4MEN1KMT2AF7F3
SCHEMBL9997164 0.93 KMT2A (0.50) CYP3A4MEN1KMT2AF7F3
SCHEMBL7100990 0.88 TSHR (0.36) CYP3A4MEN1KMT2AMAPTTP53
SCHEMBL7100986 0.88 TSHR (0.36) CYP3A4MEN1KMT2AMAPTTP53
SCHEMBL5498955 0.79 TSHR (0.39) MAPTLMNASMN1; SMN2ALDH1A1

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 CYP3A4 36/4885MEN1 1032/4885KMT2A 2324/4885

“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.