SCHEMBL1553395

SCHEMBL1553395

COc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
GRIN2C Q14957 1/20 0.46
GFER P55789 1/20 0.46
PTPN1 P18031 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TNF P01375 1/20 0.44
NR1H3 Q13133 1/20 0.43
POLB P06746 1/20 0.43

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 0.87 MEN1 (0.48) ARMEN1KMT2ANPC1MAPT
SCHEMBL1553982 0.87 ALDH1A1 (0.52) ARMEN1KMT2AMAPTALDH1A1
SCHEMBL1554791 0.87 ALDH1A1 (0.46) ARMEN1KMT2ANPC1MAPT
SCHEMBL1554640 0.85 ALDH1A1 (0.63) ARMEN1KMT2ANPC1MAPT
SCHEMBL1553831 0.84 MEN1 (0.46) ARMEN1KMT2ANPC1ALDH1A1
SCHEMBL1553923 0.84 AR (0.49) ARMEN1KMT2ANPC1MAPT
SCHEMBL1553601 0.83 ALDH1A1 (0.42) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL1553666 0.82 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1553944 0.81 POLB (0.44) ARMEN1KMT2ANPC1ALDH1A1
SCHEMBL4563209 0.81 KMT2A (0.42) MEN1KMT2ANPC1MAPTALDH1A1

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 AR 4680/4885MEN1 4077/4885KMT2A 4595/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE AR 4680/4885MEN1 4077/4885KMT2A 4595/4885

“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.