SCHEMBL3528957

SCHEMBL3528957

O=S(=O)(F)c1ccccc1OC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.60
ALPL P05186 2/20 0.50
SLC22A12 Q96S37 4/20 0.46
SLC40A1 Q9NP59 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.43
HTR6 P50406 2/20 0.42
KDM2B Q8NHM5 1/20 0.41
BRD4 O60885 1/20 0.40
RORC P51449 1/20 0.38
AKR1C3 P42330 1/20 0.38
CNR2 P34972 1/20 0.38
CHRM1 P11229 1/20 0.38
GAA P10253 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
SCHEMBL6972429 0.84 ALPL (0.47) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL10646541 0.82 SLC22A12 (0.48) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL29469931 0.82 PTGES2 (0.55) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL29520001 0.82 SLC22A12 (0.48) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL645001 0.82 ALPL (0.46) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL6039108 0.82 SLC22A12 (0.48) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL2646108 0.82 ALPL (0.46) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL692280 0.82 PTGES2 (0.55) ELANEALPLSLC22A12SLC40A1PTGES2
SCHEMBL122293 0.82 SLC22A12 (0.48) ELANEALPLSLC22A12SLC40A1PTGES2
Hydrochloric Acid SCHEMBL4436765 0.81 PTGES2 (0.53) ELANEALPLSLC22A12SLC40A1PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642272-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-01-05 US disclosed
EP-1611090-A2 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2006-01-04 EP disclosed
WO-2004085385-A2 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-10-07 WO disclosed
US-20040186148-A1 Cannabinoid receptor ligands SCHERING CORPORATION 2004-09-23 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-20040186148-A1 Cannabinoid receptor ligands CNR1, CNR2, TRPV1 ELANE 1597/4885ALPL 2938/4885SLC22A12 3453/4885

“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.