SCHEMBL14728188

SCHEMBL14728188

Cc1ccc2c(c1)c(CC(=O)N1CCN(C(=O)c3ccc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.46
▸ PTGS1 P23219 4/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ PMP22 Q01453 2/20 0.45
▸ GMNN O75496 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ DNASE1L3 Q13609 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ USP2 O75604 2/20 0.42

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
SCHEMBL860839 0.93 CNR2 (0.56) PTGS2PTGS1MEN1KMT2ACNR2
SCHEMBL14728180 0.85 PTGS2 (0.48) PTGS2PTGS1DNASE1L3PRMT1ALB
SCHEMBL860837 0.84 PTGS2 (0.50) PTGS2PTGS1LMNANPSR1
SCHEMBL861480 0.79 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL14728170 0.79 CA1 (0.52) PTGS2PTGS1BTKADORA3
SCHEMBL861487 0.78 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL13286827 0.77 USP2 (0.55) MEN1KMT2ADNASE1L3PRMT1USP2
SCHEMBL16181473 0.75 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL861064 0.74 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL12045940 0.74 USP2 (0.68) MEN1KMT2ADNASE1L3PRMT1USP2

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-8865130-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2014-10-21 — — US disclosed
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2013-02-28 — — 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-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885MEN1 3725/4885

“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.

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