SCHEMBL6700671

SCHEMBL6700671

CCSC(=O)C(C)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
ESR1 P03372 7/20 0.46
ESR2 Q92731 7/20 0.46
SLC7A5 Q01650 1/20 0.43
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FOLH1 Q04609 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
SLC6A4 P31645 3/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL7753247 0.77 TAAR1 (0.57) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL6698985 0.77 ALDH1A1 (0.51) MAPTSMN1; SMN2
SCHEMBL6936865 0.77 PPARA (0.41)
SCHEMBL106905 0.77 TAAR1 (0.52) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL791820 0.76 SLC7A5 (0.60) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL284670 0.76 SLC7A5 (0.60) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL7600582 0.76 ESR1 (0.61) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL12229428 0.76 ESR1 (0.61) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL13108107 0.76 SLC7A5 (0.60) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL14032489 0.74 TAAR1 (0.59) TAAR1SLC6A2ESR1ESR2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (2 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885SLC6A2 2936/4885ESR1 775/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885SLC6A2 2936/4885ESR1 775/4885

“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.