SCHEMBL1394516

SCHEMBL1394516

COc1ccc2c(c1)c(CC(=O)OCC[Si](C)(C)C)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.81
AKR1C3 P42330 2/20 0.75
CNR2 P34972 1/20 0.75
PTGS1 P23219 2/20 0.75
GLO1 Q04760 2/20 0.75
HIF1A Q16665 2/20 0.75
HTR1A P08908 1/20 0.75
PKM P14618 1/20 0.75
KDM4E B2RXH2 1/20 0.71
MEN1 O00255 1/20 0.71
PTGES O14684 1/20 0.71
ABCC3 O15438 1/20 0.71
ABCC4 O15439 1/20 0.71
ABCB11 O95342 1/20 0.71
MT-CO2 P00403 1/20 0.71
LMNA P02545 1/20 0.71
ALB P02768 1/20 0.71
CYP1A2 P05177 1/20 0.71
ABCB1 P08183 1/20 0.71
ALOX5 P09917 1/20 0.71

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
SCHEMBL11174704 0.90 PTGS2 (0.85) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL30077218 0.90 PTGS2 (0.91) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL12742120 0.90 PTGS2 (0.91) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL13813542 0.90 PTGS2 (1.00) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL10041455 0.90 PTGS2 (0.66) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL19376389 0.89 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL17854659 0.89 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL16008849 0.89 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL4549122 0.88 PTGS2 (1.00) PTGS2AKR1C3CNR2PTGS1GLO1
SCHEMBL9260117 0.88 PTGS2 (0.63) PTGS2AKR1C3CNR2PTGS1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 US claimed
US-20120010168-A1 Unique Dual-Action Therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-12 US claimed
WO-2010051044-A1 UNIQUE DUAL-ACTION THERAPEUTICS UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2010-05-06 WO claimed
US-10570161-B2 Unique dual-action therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-02-25 US disclosed
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 US disclosed
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 US disclosed
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS LEHIGH UNIVERSITY 2017-05-25 US disclosed
US-20120010168-A1 Unique Dual-Action Therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-12 US disclosed
US-20120010168-A1 Unique Dual-Action Therapeutics RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-12 US disclosed
WO-2010051044-A1 UNIQUE DUAL-ACTION THERAPEUTICS UNIVERSITY OF MEDICINE AND DENTISTRY (US) 2010-05-06 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 (3 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-20120010168-A1 Unique Dual-Action Therapeutics ACHE, PDE1A, PDE1C PTGS2 17/4885AKR1C3 217/4885CNR2 169/4885
US-20170143836-A1 UNIQUE DUAL-ACTION THERAPEUTICS ACHE, PDE1A, PDE1C PTGS2 17/4885AKR1C3 217/4885CNR2 169/4885
US-10570161-B2 Unique dual-action therapeutics ACHE, PDE1A, PDE1C PTGS2 19/4885AKR1C3 272/4885CNR2 114/4885

“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.