SCHEMBL9997363

SCHEMBL9997363

CC(=O)OC(OC(C)=O)/C(=C/c1ccccc1Cl)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
TSHR P16473 1/20 0.44
NOS2 P35228 4/20 0.44
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLK7 P49862 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL9997364 1.00 LMNA (0.45) LMNATSHRNOS2NOS3NOS1
SCHEMBL9997900 0.85 TSHR (0.45) TSHRHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9997903 0.85 TSHR (0.45) TSHRHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9997186 0.85 SMN1; SMN2 (0.45) LMNANOS2NOS3NOS1HPGD
SCHEMBL9997185 0.85 SMN1; SMN2 (0.45) LMNANOS2NOS3NOS1HPGD
SCHEMBL9997936 0.84 TSHR (0.44) TSHRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL9997398 0.84 TSHR (0.44) LMNATSHRL3MBTL1ALDH1A1KMT2A
SCHEMBL9997610 0.84 CYP2C19 (0.45) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9997608 0.84 CYP2C19 (0.45) TSHRSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9998456 0.84 TSHR (0.44) TSHRHPGDSMN1; SMN2NPC1RAB9A

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 LMNA 3752/4885TSHR 621/4885NOS2 409/4885

“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.