SCHEMBL3552606

SCHEMBL3552606

Cc1scc(NC(=O)CCOc2ccc(-c3ccccc3)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TDP1 Q9NUW8 1/20 0.51
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC10 Q969S8 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL3561743 0.88 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL5275098 0.82 HCAR2 (0.56)
SCHEMBL3562528 0.78 MMP3 (0.58) MMP3NPC1RAB9ATDP1THRB
SCHEMBL3552611 0.75 MMP3 (0.54) MMP3NPC1RAB9ATDP1THRB
SCHEMBL7044763 0.74 MMP3 (1.00) MMP3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3561642 0.73 SLC12A2 (0.41) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL12756653 0.69 GAA (0.51) NPC1RAB9ASMN1; SMN2HPGDHDAC1
SCHEMBL21993319 0.69 MMP3 (0.67) MMP3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14413930 0.68 MMP3 (0.66) MMP3NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7049002 0.68 MMP2 (0.70) MMP3HDAC3HDAC4HDAC1HDAC7

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-7732452-B2 Thiophene derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2010-06-08 US disclosed
EP-1931651-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
US-20070161650-A1 Novel thiophene derivatives which are HM74A agonists F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 US disclosed
WO-2007039482-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 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 (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-20070161650-A1 Novel thiophene derivatives which are HM74A agonists GPR84, GPR174, MRGPRX1 MMP3 4573/4885NPC1 1082/4885RAB9A 813/4885

“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.