SCHEMBL1553601

SCHEMBL1553601

CCc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
PPARA Q07869 3/20 0.40
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
VDR P11473 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
PRKCZ Q05513 2/20 0.38
PTPRC P08575 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
SCHEMBL1554635 0.87 MEN1 (0.48) ALDH1A1SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL1553441 0.87 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2TP53HTT
SCHEMBL1554791 0.87 ALDH1A1 (0.46) ALDH1A1PPARALMNASMN1; SMN2TP53
SCHEMBL1553923 0.84 AR (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EMEN1
SCHEMBL1553831 0.84 MEN1 (0.46) ALDH1A1MEN1KMT2APRKCZNPC1
SCHEMBL4563209 0.83 KMT2A (0.42) ALDH1A1LMNASMN1; SMN2TP53HTT
SCHEMBL1553395 0.83 AR (0.52) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL1553944 0.81 POLB (0.44) ALDH1A1MEN1KMT2AHPGDNPC1
SCHEMBL1554259 0.81 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2TP53HTT
SCHEMBL1553883 0.80 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2TP53HTT

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 ALDH1A1 1591/4885PPARA 1308/4885LMNA 4578/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE ALDH1A1 1591/4885PPARA 1308/4885LMNA 4578/4885

“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.