SCHEMBL3429653

SCHEMBL3429653

O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccc(Cl)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
HDAC4 P56524 4/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC6 Q9UBN7 4/20 0.48
HPGDS O60760 1/20 0.48
F2 P00734 1/20 0.47
DAO P14920 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL3429658 1.00 F10 (0.50) F10CA1CA2MMP12MMP13
SCHEMBL27711838 0.83 SMN1; SMN2 (0.53) F10HDAC4HDAC1HDAC3HDAC6
SCHEMBL27711835 0.83 SMN1; SMN2 (0.53) F10HDAC4HDAC1HDAC3HDAC6
SCHEMBL3425960 0.76 SMN1; SMN2 (0.52) F10CA1CA2HDAC4HDAC1
SCHEMBL3425969 0.76 SMN1; SMN2 (0.52) F10CA1CA2HDAC4HDAC1
SCHEMBL27713516 0.75 NPC1 (0.44) F2DAOALDH1A1KMT2ANPC1
SCHEMBL4430968 0.75 C3AR1 (0.52) CA1CA2MMP12MMP13HDAC4
SCHEMBL4028934 0.74 CA2 (0.49) F10CA1CA2F2DAO
SCHEMBL4466138 0.74 CA2 (0.49) F10CA1CA2F2DAO
SCHEMBL13754450 0.74 SMN1; SMN2 (0.59) F2DAOALDH1A1KMT2ANPC1

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-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 F10 1901/4885CA1 1402/4885CA2 64/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC F10 2132/4885CA1 337/4885CA2 26/4885

“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.