SCHEMBL6437743

SCHEMBL6437743

CSc1ccc(C(O)(c2ccc(CCC(=O)O)cc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.49
FFAR4 Q5NUL3 3/20 0.49
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NR1H4 Q96RI1 3/20 0.46
EPHX2 P34913 2/20 0.46
KEAP1 Q14145 1/20 0.46
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL46690 0.88 FFAR1 (0.59) FFAR1FFAR4MMP12MMP13RXRA
SCHEMBL13940077 0.80 SLC6A4 (0.45) MMP12MMP13NR1H4EPHX2
SCHEMBL46638 0.78 HSD17B10 (0.61) FFAR1FFAR4MMP12MMP13RXRA
SCHEMBL6439322 0.78 FFAR1 (0.66) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL6469980 0.77 ESR1 (0.46) FFAR1FFAR4LMNAL3MBTL1
SCHEMBL6441201 0.76 CYP4F2 (0.41) FFAR1FFAR4MMP12MMP13NR1H4
SCHEMBL7407541 0.76 RXRA (0.58) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL712396 0.76 MAPT (0.62) FFAR1FFAR4MMP12MMP13RXRA
SCHEMBL13939427 0.76 EPHX2 (0.35) FFAR1FFAR4MMP12MMP13NR1H4
SCHEMBL7953221 0.74 ALDH1A1 (0.59) FFAR1FFAR4MMP12MMP13NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
US-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2009-01-22 US disclosed
EP-1506959-A2 Derivatised molecules for mass spectrometry OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2005-02-16 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 (1 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-20090023926-A1 Trityl Derivatives for Enhancing Mass Spectrometry F3, TBCA, GYPA FFAR1 4717/4885FFAR4 4231/4885MMP12 3374/4885

“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.