SCHEMBL5841326

SCHEMBL5841326

O=C(O)CC(NC(=O)CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.58
CA4 P22748 1/20 0.58
MME P08473 3/20 0.50
RECQL P46063 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
CASP3 P42574 1/20 0.41
FOLH1 Q04609 2/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.39
EPHX2 P34913 2/20 0.38
ACE P12821 1/20 0.38
RIMKLA Q8IXN7 1/20 0.38

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
SCHEMBL11279926 0.83 CA2 (0.55) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL3049100 0.83 MEN1 (0.49) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL929428 0.82 KDM4E (0.61) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL8861972 0.82 KDM4E (0.61) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL4572564 0.82 CA2 (0.62) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL13674348 0.82 CA2 (0.62) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL4177568 0.80 CA2 (0.60) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL4177566 0.80 CA2 (0.60) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL15605900 0.80 CA2 (0.60) CA2CA4MMERECQLSMN1; SMN2
SCHEMBL29238597 0.80 CA2 (0.60) CA2CA4MMERECQLSMN1; SMN2

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-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
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 claimed
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
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US 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
US-6280760-B1 IMPLANTS HAVING MADE-TO-MEASURE COATING WITH SYNTHESIZED CELL-OR TISSUE-SELECTIVE PEPTIDES WHICH IN VITRO STIMULATE ADHESION OF MAINLY THOSE CELL SPECIES WHICH IN EACH CASE ARE INTENDED TO ACCOMPLISH TISSUE INTEGRATION OF APPROPRIATE BIOMATERIAL MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-08-28 US 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 CA2 1487/4885CA4 1091/4885MME 373/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R CA2 2236/4885CA4 1608/4885MME 109/4885

“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.