SCHEMBL14909078

SCHEMBL14909078

CSc1cc(C)cc(C(=O)O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ TPMT P51580 1/20 0.39
▸ NOTUM Q6P988 8/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ MYC P01106 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ FTO Q9C0B1 1/20 0.35
▸ CLCN2 P51788 1/20 0.35
▸ METAP2 P50579 1/20 0.35

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
SCHEMBL27438816 0.83 KDM4E (0.54) KDM4ECSNK2A1CYP3A4TPMTNOTUM
SCHEMBL27607757 0.78 KDM4E (0.59) KDM4ECSNK2A1CYP3A4TPMTNOTUM
SCHEMBL28531698 0.78 KDM4E (0.48) KDM4ECSNK2A1CYP3A4TPMTNOTUM
SCHEMBL14910263 0.77 KDM4E (0.63) KDM4ECSNK2A1TPMTNOTUMMCL1
SCHEMBL29053402 0.76 KDM4E (0.47) KDM4ECSNK2A1CYP3A4TPMTNOTUM
SCHEMBL11682705 0.74 CYP3A4 (0.66) KDM4ECSNK2A1CYP3A4TPMTNOTUM
SCHEMBL5918393 0.74 KDM4E (0.46) KDM4ECSNK2A1CYP3A4TPMTNOTUM
SCHEMBL7765925 0.74 MYC (0.53) KDM4ECSNK2A1CYP3A4TPMTNOTUM
SCHEMBL21939457 0.73 ALDH1A1 (0.39) KDM4ETPMTNOTUMGPR35
SCHEMBL29276547 0.73 TSHR (0.57) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773625-B1 5-PHENYL SUBSTITUTED N-(TETRAZOL-5-YL)- AND N-(TRIAZOL-5-YL)ARYL CARBOXYLIC ACID AMIDES AND USE OF SAME AS HERBICIDES BAYER IP GMBH (DE) 2016-08-24 — — EP disclosed
CN-104011031-B N-(tetrazolium-5-base) aryl carboxylic acid amides of 5-phenyl-replacement and N-(triazole-5-base) aryl carboxylic acid amides, and the purposes as herbicide 拜耳知识产权有限责任公司 2016-07-06 — — CN disclosed
US-9259001-B2 5-phenyl-substituted N-(tetrazol-5-yl) aryl carboxylic acid amides and N-(triazol-5-yl) aryl carboxylic acid amides, and use thereof as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 — — US disclosed
US-20140296069-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-10-02 — — US disclosed
EP-2773625-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2014-09-10 — — EP disclosed
WO-2013064457-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 — — WO disclosed
EP-2589598-A1 5-phenyl substituted N-(Tetrazol-5-yl)- and N-(Triazol-5-yl)aryl carboxylic acid amides and use of same as herbicides Bayer CropScience AG (DE) 2013-05-08 — — EP 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-20140296069-A1 5-PHENYL-SUBSTITUTED N-(TETRAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES AND N-(TRIAZOL-5-YL) ARYL CARBOXYLIC ACID AMIDES, AND USE THEREOF AS HERBICIDES AADAC, NAT1, PAOX KDM4E 1902/4885CSNK2A1 1727/4885CYP3A4 425/4885

“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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