SCHEMBL330842

SCHEMBL330842

O=C(O)CC(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PHGDH O43175 1/20 0.32

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
SCHEMBL7024101 0.86 HTT (0.48) HTTTSHRGAASMN1; SMN2PKM
SCHEMBL8007008 0.84 TAS1R3 (0.42) HTTTSHRGAASMN1; SMN2PKM
SCHEMBL9135192 0.84 HTT (0.36) HTTLDHASRRTSHRGAA
SCHEMBL6262248 0.83 HTT (0.31) HTTLDHASRRTSHR
SCHEMBL9378716 0.80 HTT (0.33) HTTTSHRGAASMN1; SMN2PKM
SCHEMBL9687755 0.78 HTT (0.32) HTTTSHRGAASMN1; SMN2
SCHEMBL9136253 0.75 CES2 (0.34) LDHASRRCES2CES1
SCHEMBL14497160 0.73 MEN1 (0.68) HTTTSHRGAASMN1; SMN2CES1
SCHEMBL17318341 0.73 PLOD2 (0.52) HTTTSHRGAASMN1; SMN2PKM
SCHEMBL1784332 0.72 HTT (0.41) HTTTSHRGAASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024024760-A1 PYRAZOLONE COMPOUND AND PYRAZOLONE AGENT 公益財団法人野口研究所 2024-02-01 WO disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
EP-2013182-A2 AMINOQUINOLONES AS GSK-3 INHIBITORS Activx Biosciences, Inc. (US) 2009-01-14 EP disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-5318965-A Administering to treat leukemia, melanoma, carcinoma of lung, colon, ovaries ABBOTT LABORATORIES (US) 1994-06-07 US disclosed
EP-0608215-A4 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS. ABBOTT LAB (US) 1993-11-11 EP disclosed
WO-1993016702-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1993-09-02 WO disclosed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
WO-1992003136-A1 QUINOBENZOXAZINE, QUINOBENZOTHIAZINE, AND PYRIDO-ACRIDINE ANTINEOPLASTIC AGENTS ABBOTT LABORATORIES (US) 1992-03-05 WO disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
EP-0202763-B1 5,6-DIFLUORONAPHTHYRIDINES AND 5,6,8-TRIFLUORO-QUINOLINES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-11-08 EP disclosed
EP-0230053-A2 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP disclosed
US-4657913-A Trifluoro- quinoline -3- carboxylic acids and their use as anti-bacterial agents WARNER-LAMBERT COMPANY (US) 1987-04-14 US disclosed
EP-0202763-A1 5,6-Difluoronaphthyridines and 5,6,8-trifluoro-quinolines as antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-11-26 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 (4 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HTT 3012/4885LDHA 1148/4885SRR 1651/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HTT 3223/4885LDHA 1225/4885SRR 1793/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HTT 3223/4885LDHA 1225/4885SRR 1793/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HTT 3223/4885LDHA 1225/4885SRR 1793/4885

“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.