SCHEMBL2623669

SCHEMBL2623669

CCc1cc(C(=O)OC)n(-c2ncccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 5/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ OPRL1 P41146 1/20 0.38
▸ SLC16A3 O15427 1/20 0.38
▸ SLC16A1 P53985 1/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL30206595 0.91 MALT1 (0.38) MALT1SLC16A3SLC16A1RBP4NPC1
SCHEMBL340847 0.91 MALT1 (0.38) MALT1SLC16A3SLC16A1RBP4NPC1
SCHEMBL421559 0.91 MALT1 (0.38) MALT1SLC16A3SLC16A1RBP4NPC1
SCHEMBL341689 0.89 DHODH (0.38) MALT1SLC16A3SLC16A1RBP4NPC1
SCHEMBL30234226 0.89 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL25008752 0.89 SLC16A3 (0.41) MALT1SLC16A3SLC16A1RBP4ALDH1A1
SCHEMBL16014672 0.89 MALT1 (0.37) MALT1SLC16A3SLC16A1RBP4NPC1
SCHEMBL29215224 0.89 ALDH1A1 (0.47) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL10118188 0.89 NAMPT (0.39) MALT1NAMPTOPRL1SLC16A3SLC16A1
SCHEMBL28802119 0.88 ALDH1A1 (0.38) MALT1SLC16A3SLC16A1RBP4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056861-B2 Process for preparing tetrazole-substituted anthranilamide derivatives and novel crystal polymorphs of these derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 — — US disclosed
US-8969572-B2 Process for preparing tetrazole-substituted anthranilamide derivatives and novel crystal polymorphs of these derivatives BAYER CROPSCIENCE AG (DE) 2015-03-03 — — US disclosed
US-20150025116-A1 PROCESS FOR PREPARING TETRAZOLE-SUBSTITUTED ANTHRANILAMIDE DERIVATIVES AND NOVEL CRYSTAL POLYMORPHS OF THESE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-01-22 — — US disclosed
US-20120101133-A1 PROCESS FOR PREPARING TETRAZOLE-SUBSTITUTED ANTHRANILAMIDE DERIVATIVES AND NOVEL CRYSTAL POLYMORPHS OF THESE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2012-04-26 — — 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 (2 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-20150025116-A1 PROCESS FOR PREPARING TETRAZOLE-SUBSTITUTED ANTHRANILAMIDE DERIVATIVES AND NOVEL CRYSTAL POLYMORPHS OF THESE DERIVATIVES CYP4F3, CYP4F12, CYP3A5 MALT1 2320/4885NAMPT 775/4885OPRL1 4808/4885
US-20120101133-A1 PROCESS FOR PREPARING TETRAZOLE-SUBSTITUTED ANTHRANILAMIDE DERIVATIVES AND NOVEL CRYSTAL POLYMORPHS OF THESE DERIVATIVES CYP4F3, CYP4F12, CYP3A5 MALT1 2320/4885NAMPT 775/4885OPRL1 4808/4885

“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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