SCHEMBL967917

SCHEMBL967917

Cc1ccc(S(=O)(=O)OCCC2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GPR119 Q8TDV5 2/20 0.42
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MMP2 P08253 2/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ANPEP P15144 1/20 0.37
HTT P42858 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
SCHEMBL1006509 0.87 ALDH1A1 (0.45) ALDH1A1CYP3A4MAPK1CYP2C19L3MBTL1
SCHEMBL244134 0.83 CYP2D6 (0.43) ALDH1A1CYP3A4CYP2C19L3MBTL1CA12
SCHEMBL3518969 0.83 CYP2D6 (0.37) ALDH1A1CYP3A4CYP2C19GPR119ESR1
SCHEMBL766879 0.82 CA12 (0.41) CYP3A4CYP2C19L3MBTL1CA12CA1
SCHEMBL334939 0.81 ACHE (0.44) ALDH1A1CYP3A4CYP2C19L3MBTL1POLB
SCHEMBL336340 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4LMNAPOLBCA12
SCHEMBL16104743 0.80 KMT2A (0.37) ALDH1A1CYP3A4GPR119ESR1POLB
SCHEMBL7026133 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4LMNAPOLBCA12
SCHEMBL565372 0.79 CYP2D6 (0.52) ALDH1A1CYP3A4MAPK1CYP2C19L3MBTL1
SCHEMBL2486679 0.78 CYP2D6 (0.36) ALDH1A1GPR119ESR1ESR2CA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4227308-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF Japan Tobacco Inc. (JP) 2023-08-16 EP disclosed
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS DART NEUROSCIENCE LLC 2023-05-11 US disclosed
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-05-09 US disclosed
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-05-09 US disclosed
US-20220162220-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2022-05-26 US disclosed
US-8344163-B2 Nitrile compound and its use for control of arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-27 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 (4 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-20110021627-A1 NITRILE COMPOUND AND ITS USE FOR CONTROL OF ARTHROPOD PEST C5, OR10J3, NOX3 ALDH1A1 2305/4885CYP3A4 75/4885MAPK1 1619/4885
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof PIM1, PIM2, PIM3 ALDH1A1 76/4885CYP3A4 92/4885MAPK1 156/4885
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS OPRL1, OPRK1, NOP56 ALDH1A1 2958/4885CYP3A4 1905/4885MAPK1 1812/4885
US-20220162220-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PIM1, PIM2, PIM3 ALDH1A1 76/4885CYP3A4 92/4885MAPK1 156/4885

“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.