SCHEMBL6809052

SCHEMBL6809052

Cc1ccsc1CCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 6/20 0.50
ALOX5 P09917 1/20 0.50
FFAR1 O14842 1/20 0.46
RIPK1 Q13546 1/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GSK3B P49841 1/20 0.43

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
SCHEMBL1176720 0.95 LTB4R (0.56) LTB4RALOX5FFAR1RIPK1GSK3B
SCHEMBL5288668 0.89 FFAR1 (0.51) LTB4RALOX5FFAR1RIPK1GSK3B
SCHEMBL8572643 0.86 ALOX5 (0.58) LTB4RALOX5FFAR1RIPK1SMN1; SMN2
SCHEMBL8570842 0.81 ALOX5 (0.46) ALOX5RIPK1GSK3BKDM4EMEN1
SCHEMBL5724650 0.80 LTB4R (0.51) LTB4RFFAR1MAPK1SMN1; SMN2HDAC3
SCHEMBL1667468 0.79 LTB4R (0.50) LTB4RFFAR1MAPK1SMN1; SMN2HDAC3
SCHEMBL26679360 0.79 LTB4R (0.54) LTB4RFFAR1MAPK1SMN1; SMN2HDAC3
SCHEMBL5481203 0.77 ALDH1A1 (0.49) ALOX5RIPK1GSK3BKDM4EMEN1
SCHEMBL1295399 0.77 ALOX5 (0.51) ALOX5FFAR1RIPK1GSK3BKDM4E
Decanoic Acid SCHEMBL28141368 0.77 GPR84 (0.41) LTB4RFFAR1HDAC11MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147360-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-11 US disclosed
US-20230147360-A1 ARYLAMIDES AND METHODS OF USE THEREOF GENZYME CORPORATION 2023-05-11 US disclosed
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds PFIZER INC. 2004-07-22 US disclosed
US-6696470-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, BONE RESORPTION DISEASE, CACHEXIA, CARDIOVASCULAR DISEASE, CEREBRAL MALARIA, CROHN'S DISEASE, DIABETES, FEVER OR MYALGIA DUE TO INFECTION, GOUT, GRAFT VERSUS HOST REACTION, INFLAMMATION OF ORGANS, ETC. PFIZER INC. 2004-02-24 US disclosed
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds KAWAI AKIYOSHI (JP) 2002-02-21 US disclosed
EP-0853083-B1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER (US) 2001-09-12 EP disclosed
US-6048880-A THERAPY FOR CYTOKINE SENSITIVE DISEASES PFIZER PHARAMACEUTICALS INC. (JP) 2000-04-11 US disclosed
EP-0853083-A1 Pyridylfuran and pyridylthiophene compounds and pharmaceutical use thereof PFIZER INC. (US) 1998-07-15 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 (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-20230147360-A1 ARYLAMIDES AND METHODS OF USE THEREOF CFTR, AADAC, ARSA LTB4R 1848/4885ALOX5 2101/4885FFAR1 3376/4885
US-20040142976-A1 Pyridylfuran and pyridylthiophene compounds MC2R, FCGR2A, OGFR LTB4R 45/4885ALOX5 236/4885FFAR1 230/4885
US-20020022729-A1 Pyridylfuran and pyridylthiophene compounds MC2R, CRHR1, NR3C2 LTB4R 59/4885ALOX5 224/4885FFAR1 186/4885

“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.