SCHEMBL5840333

SCHEMBL5840333

CS(=O)(=O)CCCCCCl

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 3/20 0.41
NLRP3 Q96P20 1/20 0.35
FAAH O00519 2/20 0.33
LOX P28300 1/20 0.32
CA2 P00918 4/20 0.32
CA1 P00915 1/20 0.32
TDP1 Q9NUW8 2/20 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
SCHEMBL181187 0.88
SCHEMBL5461072 0.85 ALDH1A1 (0.50) ALDH1A1LMNATP53TSHRNLRP3
SCHEMBL9185106 0.85 ALDH1A1 (0.50) ALDH1A1LMNATP53TSHRNLRP3
SCHEMBL777321 0.82 ALDH1A1 (0.52) ALDH1A1LMNATP53TSHRNLRP3
SCHEMBL9473262 0.80 ALDH1A1 (0.36) ALDH1A1TSHRCA2CA1TDP1
SCHEMBL9474122 0.80 ALDH1A1 (0.36) ALDH1A1TSHRCA2CA1TDP1
SCHEMBL9473326 0.80 ALDH1A1 (0.36) ALDH1A1TSHRCA2CA1TDP1
SCHEMBL9163308 0.80 ALDH1A1 (0.36) ALDH1A1TSHRCA2CA1TDP1
SCHEMBL1767098 0.77
SCHEMBL9481762 0.77 ALDH1A1 (0.38) ALDH1A1TSHRFAAHCA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10722525-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
CN-100412073-C Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2008-08-20 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
CN-1665800-A Novel thiophenecarboxamidines, compositions thereof, and methods of treating complement-mediated diseases and conditions DIMENSIONAL PHARM INC (US) 2005-09-07 CN 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 (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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 3674/4885LMNA 4410/4885TP53 916/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 2779/4885LMNA 4320/4885TP53 1849/4885
US-10722525-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 ALDH1A1 3249/4885LMNA 3127/4885TP53 62/4885

“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.