Sugi Predict

Sugi Predict / Compounds / SCHEMBL349343

SCHEMBL349343

SCHEMBL349343

[NH]C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.70
▸ CES1 P23141 2/20 0.70
▸ SRD5A2 P31213 2/20 0.59
▸ GSK3B P49841 2/20 0.57
▸ PTPN1 P18031 2/20 0.57
▸ NR4A1 P22736 1/20 0.52
▸ NR4A2 P43354 1/20 0.52
▸ NR4A3 Q92570 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ TRPV1 Q8NER1 2/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ CYP1A1 P04798 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ RORC P51449 1/20 0.47

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
SCHEMBL3172262 0.82 CES2 (1.00) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL648641 0.82 SRD5A2 (0.83) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL4088597 0.81 CES2 (0.64) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL3806036 0.80 CES2 (0.70) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL1330891 0.80 SRD5A2 (0.87) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL9069999 0.80 CES2 (0.70) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL2181232 0.80 CES2 (0.70) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL2195841 0.80 CES2 (0.70) CES2CES1SRD5A2GSK3BPTPN1
SCHEMBL78879 0.80 SRD5A2 (0.87) CES2CES1SRD5A2GSK3BPTPN1
Hydrochloric Acid SCHEMBL27733522 0.80 SRD5A2 (0.79) CES2CES1SRD5A2GSK3BPTPN1

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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656139-B1 ARYL DICARBOXAMIDES MERCK SERONO SA (CH) 2011-10-05 — — EP claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 — — US claimed
EP-1482929-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE Aventis Pharma Deutschland GmbH (DE) 2004-12-08 — — EP claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 — — EP claimed
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-25 — — US claimed
WO-2003072098-A1 USE OF SUBSTITUTED 3-PHENYL-5-ALKOXY-1,3,4-OXDIAZOLE-2-ONE FOR PRODUCING MEDICAMENTS THAT INHIBIT PANCREATIC LIPASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-04 — — WO claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 — — WO claimed
US-5932551-A INHIBITORS OF MATRIX METALLOENDOPROTEINASE-MEDIATED DISEASES MERCK & CO., INC. (US) 1999-08-03 — — US claimed
EP-0586537-A4 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO INC (US) 1997-06-25 — — EP claimed
EP-0586537-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO. INC. (US) 1994-03-16 — — EP claimed
WO-1992021360-A1 SUBSTITUTED N-CARBOXYALKYLPEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS MERCK & CO., INC. (US) 1992-12-10 — — WO claimed
WO-2016155831-A1 ISOXAZOLINE-STYRENE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-10-06 — — WO disclosed
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 — — WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 — — US disclosed
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 — — US disclosed
US-4271305-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-06-02 — — US disclosed
US-4226986-A 7-ACYLAMINO-3-HYDROXY-3-CEPHEM COMPOUND, TRIARYL PHOSPHITE DIHALIDE ELI LILLY AND COMPANY (US) 1980-10-07 — — US disclosed
US-4223133-A USING A TRIARYL PHOSPHITE-HALOGEN COMPLEX ELI LILLY AND COMPANY (US) 1980-09-16 — — US disclosed
EP-0014567-A1 Processes for preparation of beta-lactam compounds ELI LILLY AND COMPANY (US) 1980-08-20 — — EP disclosed
US-4211702-A TRIARYLPHOSPHITE-HALOGEN COMPLEX HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1980-07-08 — — 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 (3 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 CES2 3791/4885CES1 2980/4885SRD5A2 1/4885
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase PNLIP, CEL, LIPE CES2 63/4885CES1 8/4885SRD5A2 121/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 CES2 718/4885CES1 610/4885SRD5A2 1685/4885

“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.