SCHEMBL5776873

SCHEMBL5776873

CS(=O)(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.61
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
KCNJ1 P48048 1/20 0.56
TSHR P16473 2/20 0.55
JAK2 O60674 2/20 0.54
JAK3 P52333 2/20 0.54
PTK2 Q05397 2/20 0.54
CA2 P00918 2/20 0.53
CCR2 P41597 1/20 0.51
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
RAB9A P51151 1/20 0.50
SLC2A1 P11166 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL11123197 0.83 CA2 (0.64) HRH3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL8236801 0.83 HRH3 (0.64) HRH3LMNAALDH1A1CCR2CYP2D6
SCHEMBL3920768 0.83 HRH3 (0.56) HRH3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL15467001 0.82 HRH3 (0.87) HRH3SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL979381 0.81 LMNA (0.52) LMNAKCNJ1CCR2
SCHEMBL22516895 0.81 CCR2 (0.59) LMNAALDH1A1KCNJ1JAK2JAK3
SCHEMBL722275 0.80 SIGMAR1 (0.56) HRH3LMNACCR2MEN1KMT2A
SCHEMBL19392475 0.79 TSHR (0.69) HRH3SMN1; SMN2LMNAALDH1A1TSHR
Hydrochloric Acid SCHEMBL29045124 0.79 CXCR4 (0.57) HRH3LMNACCR2MEN1KMT2A
SCHEMBL14375228 0.79 HRH3 (0.65) HRH3SMN1; SMN2LMNAJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP claimed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 WO claimed
US-20140086936-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2014-03-27 US disclosed
EP-1635829-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS Merck Frosst Canada Ltd. (CA) 2006-03-22 EP disclosed
WO-2004096220-A1 8-(3-BIARYL)PHENYLQUINOLINE PHOSPHODIESTERASE-4-INHIBITORS MERCK FROSST CANADA LTD. (CA) 2004-11-11 WO 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-20140086936-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS MMP7, MATR3, ADAMTS1 HRH3 1813/4885SMN1; SMN2 2353/4885LMNA 3507/4885

“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.