SCHEMBL1553944

SCHEMBL1553944

Cc1ccccc1-c1csc(N2C(=O)c3ccccc3C2=O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
SCN2A Q99250 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
LDHA P00338 1/20 0.40
HPGD P15428 1/20 0.39
TYMS P04818 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
AR P10275 2/20 0.37
PIM3 Q86V86 1/20 0.37
HIPK4 Q8NE63 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL1554635 0.88 MEN1 (0.48) POLBSCN2ACA12CA1CA2
SCHEMBL1554791 0.87 ALDH1A1 (0.46) POLBSCN2ACA12CA1CA2
SCHEMBL1554688 0.83 SCN2A (0.41) POLBSCN2ACA12CA1CA2
SCHEMBL1554744 0.83 HSD17B10 (0.47) CA12CA1CA9LDHAHPGD
SCHEMBL1554657 0.83 ALDH1A1 (0.49) POLBHPGDMEN1KMT2AALDH1A1
SCHEMBL1553666 0.83 ALDH1A1 (0.44) POLBCA12CA1CA2CA9
SCHEMBL1553923 0.81 AR (0.49) MEN1KMT2AARALDH1A1NPC1
SCHEMBL1553831 0.81 MEN1 (0.46) SCN2ACA12CA1CA2CA9
SCHEMBL4563209 0.81 KMT2A (0.42) POLBSCN2AMEN1KMT2AALDH1A1
SCHEMBL1553395 0.81 AR (0.52) POLBHPGDMEN1KMT2ANR1H3

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
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 EP disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE POLB 3395/4885SCN2A 354/4885CA12 2677/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE POLB 3395/4885SCN2A 354/4885CA12 2677/4885

“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.