SCHEMBL694320

SCHEMBL694320

CC1(C)COc2c(I)cc(I)cc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.36
PTGS1 P23219 15/20 0.36
TTR P02766 1/20 0.34
ALOX5 P09917 12/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL15947273 0.77 PTGS2 (0.39) PTGS2PTGS1ALOX5NOTUM
SCHEMBL3421790 0.71 NOTUM (0.49) PTGS2PTGS1ALOX5NOTUM
SCHEMBL6766062 0.68 TTR (0.35) PTGS2PTGS1TTR
SCHEMBL2745453 0.66 ALOX5 (0.30) PTGS2PTGS1ALOX5
SCHEMBL2489432 0.64 AHR (0.38) PTGS2PTGS1ALOX5NOTUM
SCHEMBL16533019 0.63 PTGS1 (0.36) PTGS2PTGS1ALOX5NOTUM
SCHEMBL7571234 0.63 PTGS2 (0.35) PTGS2PTGS1ALOX5NOTUM
SCHEMBL672713 0.63 PTGS2 (0.35) PTGS2PTGS1ALOX5NOTUM
SCHEMBL3478661 0.62 PTGS2 (0.34) PTGS2PTGS1ALOX5NOTUM
SCHEMBL10440200 0.62 NR3C1 (0.35) PTGS2PTGS1ALOX5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
US-8741914-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-03 US disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
EP-2421845-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LAB (US) 2013-04-17 EP disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
US-20120100104-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-26 US disclosed
EP-2421845-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed
WO-2010111437-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 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-20120100104-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 PTGS2 3840/4885PTGS1 2840/4885TTR 2287/4885

“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.