SCHEMBL860864

SCHEMBL860864

CCCc1cc(-c2ccc(C)cc2)n(-c2ccc(SOON)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
CA9 Q16790 4/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALOX5 P09917 4/20 0.41
PTGS1 P23219 2/20 0.41
CCKAR P32238 8/20 0.41
PTGES O14684 1/20 0.37
HDAC3 O15379 1/20 0.37
PDPK1 O15530 1/20 0.37
CA12 O43570 1/20 0.37
PDE5A O76074 1/20 0.37
ABCB11 O95342 1/20 0.37
MT-CO2 P00403 1/20 0.37
LMNA P02545 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
SCHEMBL861686 0.90 CNR1 (0.44) PTGS2CA9CA1CA2CNR1
SCHEMBL14562021 0.88 CA9 (0.60) PTGS2CA9CA1CA2RXRA
SCHEMBL14562025 0.88 PTGS2 (0.60) PTGS2CA9CA1CA2RXRA
SCHEMBL14562038 0.87 PTGS2 (0.43) PTGS2CA9CA1CA2CNR1
SCHEMBL861051 0.86 RXRA (0.61) PTGS2CA9CA1CA2RXRA
SCHEMBL14562016 0.86 PTGS2 (0.48) PTGS2CA9CA1CA2RXRA
SCHEMBL14562019 0.86 PTGS2 (0.48) PTGS2CA9CA1CA2RXRA
SCHEMBL14562018 0.85 PTGS2 (0.49) PTGS2CA9CA1CA2RXRA
SCHEMBL14562017 0.84 PTGS2 (0.47) PTGS2CA9CA1CA2RXRA
SCHEMBL14562085 0.82 KDM4C (0.42) PTGS2CA9CA1CA2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 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-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 PTGS2 1/4885CA9 522/4885CA1 305/4885

“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.