Butibufen

Butibufen

SCHEMBL1605646

CCC(C(=O)O)c1ccc(CC(C)C)cc1.[NaH]

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.71
PTGS2 P35354 4/20 0.71
ALOX5 P09917 3/20 0.64
LMNA P02545 2/20 0.64
CYP2C9 P11712 2/20 0.64
AKR1C3 P42330 2/20 0.64
CXCR1 P25024 2/20 0.64
CXCR2 P25025 2/20 0.64
ALB P02768 1/20 0.64
ESR1 P03372 1/20 0.64
RARB P10826 1/20 0.64
ADRB3 P13945 1/20 0.64
NFKB1 P19838 1/20 0.64
HTR2A P28223 1/20 0.64
NR1I3 Q14994 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
CXCL8 P10145 1/20 0.64
TSHR P16473 1/20 0.64
AKR1C2 P52895 1/20 0.64
BLM P54132 1/20 0.64

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
Butibufen SCHEMBL24177 0.98 PTGS1 (0.73) PTGS1PTGS2ALOX5LMNACYP2C9
Butibufen SCHEMBL7346774 0.98 PTGS1 (0.73) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL10443322 0.85 PTGS1 (0.59) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL27934588 0.85 PTGS1 (0.69) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL12608939 0.84 ESR1 (0.59) PTGS1PTGS2ALOX5LMNACYP2C9
Butibufen SCHEMBL11729847 0.83 PTGS1 (0.55) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL1574429 0.83 AKR1C3 (0.58) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9474541 0.83 PTGS1 (0.71) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL11185943 0.83 PTGS1 (0.57) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL8813286 0.83 PTGS1 (0.71) PTGS1PTGS2ALOX5LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6929805-B2 For oral administration comprising an analgesic with rapid onset of action and at least one systemically acting analgesic with sustained action, such as a combination of benzocaine and acetylsalicylic acid (ASA) BAYER AKTIENGESELLSCHAFT (DE) 2005-08-16 US claimed
US-10716795-B2 Steroid analogues for neuroprotection EMORY UNIVERSITY (US) 2020-07-21 US disclosed
US-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents UNIVERSITY DE STRASBOURG (FR) 2019-03-26 US disclosed
US-20180221390-A1 Steroid Analogues for Neuroprotection UNIV EMORY (US) 2018-08-09 US disclosed
US-9675696-B2 Method and use for increasing efficacy of anti-adhesive compositions in controlling inflammation and pain WARSAW ORTHOPEDIC, INC. (US) 2017-06-13 US disclosed
US-20170065615-A1 Steroid Analogues for Neuroprotection UNIV EMORY (US) 2017-03-09 US disclosed
US-9527881-B2 Steroid analogues for neuroprotection EMORY UNIVERSITY (US) 2016-12-27 US disclosed
EP-2242359-B1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIV STRASBOURG (FR) 2016-06-01 EP disclosed
US-20160075677-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2016-03-17 US disclosed
US-9051302-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents UNIVERSITE DE STRASBOURG (FR) 2015-06-09 US disclosed
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS PHARMACEUTICALS, INC. 2003-12-25 US disclosed
US-20030232877-A1 1,3-Bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders CRABTREE ACQUISITION CO, LLC 2003-12-18 US disclosed
US-6608101-B1 Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; ATHEROGENICS, INC. 2003-08-19 US disclosed
EP-1330459-A2 TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS EMORY UNIVERSITY (US) 2003-07-30 EP disclosed
EP-1330448-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS Atherogenics, Inc. (US) 2003-07-30 EP disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO disclosed
WO-2003053359-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPYN-1-ONES AND THEIR USE TO TREAT DISORDERS ATHEROGENICS, INC. (US) 2003-07-03 WO disclosed
US-20030027806-A1 Triptolide analogs for the treatment of autoimmune and inflammatory disorders EMORY UNIVERSITY 2003-02-06 US disclosed
WO-2002028862-A2 TRIPTOLIDE ANALOGS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISORDERS EMORY UNIVERSITY (US) 2002-04-11 WO disclosed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 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 (8 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-20030232877-A1 1,3-Bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders SLC10A1, PKD1, ABCB11 PTGS1 390/4885PTGS2 1126/4885ALOX5 1772/4885
US-20180221390-A1 Steroid Analogues for Neuroprotection CYP11A1, NR3C2, HSD17B7 PTGS1 203/4885PTGS2 511/4885ALOX5 251/4885
US-20030027806-A1 Triptolide analogs for the treatment of autoimmune and inflammatory disorders SSB, ENPP2, NOD1 PTGS1 77/4885PTGS2 250/4885ALOX5 217/4885
US-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents HSP90AA1, HSP90AB1, HSP90AB2P PTGS1 798/4885PTGS2 904/4885ALOX5 2871/4885
US-10716795-B2 Steroid analogues for neuroprotection CYP11A1, NR3C2, HSD17B7 PTGS1 203/4885PTGS2 511/4885ALOX5 251/4885
US-20170065615-A1 Steroid Analogues for Neuroprotection CYP11A1, NR3C2, HSD17B7 PTGS1 203/4885PTGS2 511/4885ALOX5 251/4885
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 PTGS1 35/4885PTGS2 217/4885ALOX5 606/4885
US-20160075677-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS HSP90AA1, HSP90AB1, HSP90AB2P PTGS1 798/4885PTGS2 904/4885ALOX5 2871/4885

“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.