SCHEMBL4136007

SCHEMBL4136007

CS(=O)(=O)OC1CCC(OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
SIGMAR1 Q99720 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
AGTR2 P50052 2/20 0.41
EPHX2 P34913 1/20 0.41
DPP4 P27487 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 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
SCHEMBL25525463 1.00 OPRM1 (0.43) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL428528 0.91 CTSL (0.43) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL17443117 0.91 CTSL (0.43) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL2647154 0.91 CTSL (0.43) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL717952 0.91 OPRM1 (0.49) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL25360969 0.87 OPRM1 (0.46) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL21570696 0.85 CTSL (0.41) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL3746814 0.84 PSEN1 (0.45) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL3746812 0.84 PSEN1 (0.45) OPRM1OPRL1SIGMAR1TMEM97CARM1
SCHEMBL10002313 0.78 CTSL (0.38) OPRM1OPRL1SIGMAR1TMEM97CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
EP-1869054-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2006085212-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2006-08-17 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-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV PDE3B, PDE4A, PDE3A OPRM1 3448/4885OPRL1 2604/4885SIGMAR1 4594/4885

“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.