SCHEMBL5841387

SCHEMBL5841387

CS(=O)(=O)CCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
CA2 P00918 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ATR Q13535 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
NLRP3 Q96P20 1/20 0.35
KDM4E B2RXH2 1/20 0.34
FAAH O00519 2/20 0.33
LOX P28300 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
SCHEMBL10367927 1.00 LMNA (0.41) LMNAALDH1A1TP53HSD17B10MEN1
SCHEMBL4814108 1.00 LMNA (0.41) LMNAALDH1A1TP53HSD17B10MEN1
SCHEMBL21616873 1.00 LMNA (0.41) LMNAALDH1A1TP53HSD17B10MEN1
SCHEMBL1121514 0.97
SCHEMBL48380 0.88
SCHEMBL29023369 0.87 EPHX2 (0.40) LMNAALDH1A1TP53HSD17B10FAAH
SCHEMBL28997318 0.86
SCHEMBL9185106 0.85 ALDH1A1 (0.50) LMNAALDH1A1TP53TSHRCA2
SCHEMBL5461072 0.85 ALDH1A1 (0.50) LMNAALDH1A1TP53TSHRCA2
SCHEMBL777321 0.82 ALDH1A1 (0.52) LMNAALDH1A1TP53TSHRCA2

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
CN-117185883-A Method for preparing carboxylic ester by iron-catalyzed alcohol oxidation esterification 复旦大学 2023-12-08 CN disclosed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
EP-1549632-A4 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS DIMENSIONAL PHARM INC (US) 2005-11-09 EP disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
EP-1549632-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-07-06 EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003099805-A1 NOVEL THIOPHENE AMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATING COMPLEMENT-MEDIATED DISEASES AND CONDITIONS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-12-04 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 (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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R LMNA 4410/4885ALDH1A1 3674/4885TP53 916/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R LMNA 4320/4885ALDH1A1 2779/4885TP53 1849/4885

“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.