SCHEMBL945084

SCHEMBL945084

CCCCCCCCn1nncc1CO

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 2/20 0.43
SLC9A1 P19634 3/20 0.41
SMPD1 P17405 4/20 0.37
HCAR3 P49019 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 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
SCHEMBL16815645 0.93 GGPS1 (0.40) GGPS1SLC9A1HCAR3PTGS2
SCHEMBL24754052 0.86 SLC9A1 (0.42) GGPS1SLC9A1PTGS1PTGS2MGLL
SCHEMBL10079215 0.86 SLC9A1 (0.42) GGPS1SLC9A1PTGS1PTGS2MGLL
SCHEMBL5656543 0.85 GGPS1 (0.36) GGPS1SLC9A1HCAR3PTGS2
SCHEMBL3540514 0.84 GGPS1 (0.53) GGPS1SLC9A1PTGS1PTGS2MGLL
SCHEMBL24975735 0.84 GGPS1 (0.53) GGPS1SLC9A1PTGS1PTGS2MGLL
SCHEMBL17167330 0.84 GGPS1 (0.50) GGPS1SLC9A1PTGS1PTGS2MGLL
SCHEMBL21318209 0.84 GGPS1 (0.53) GGPS1SLC9A1PTGS1PTGS2MGLL
SCHEMBL9926297 0.84 GGPS1 (0.47) GGPS1SLC9A1PTGS1PTGS2MGLL
SCHEMBL23619204 0.84 GGPS1 (0.53) GGPS1SLC9A1PTGS1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451286-B1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2018-02-28 EP disclosed
US-8993698-B2 4- and 5 substituted 1,2,3-triazole moieties with at least one remote polymerizable moiety and polymers thereof ISP INVESTMENTS INC. (US) 2015-03-31 US disclosed
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF AVOCA LLC 2012-06-07 US disclosed
EP-2451286-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-05-16 EP disclosed
WO-2011005806-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2011-01-13 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-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF H1-4, NPY4R, RXFP4 GGPS1 3722/4885SLC9A1 4493/4885SMPD1 4617/4885

“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.