SCHEMBL5230338

SCHEMBL5230338

O=C(O)c1ccsc1C(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPK10 P53779 2/20 0.41
ABCC1 P33527 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PTPN2 P17706 2/20 0.40
PTPRB P23467 1/20 0.40
PTPN6 P29350 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NR4A1 P22736 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL25332658 0.85 DHODH (0.43) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL69159 0.78 ALDH1A1 (0.58) ALDH1A1KDM4EGLAGAAHPGD
Hydrochloric Acid SCHEMBL5553175 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL29228925 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAHPGD
Hydrochloric Acid SCHEMBL29161457 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL31622301 0.76 ALDH1A1 (0.56) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL698811 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL2180242 0.72 KDM4E (0.58) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4908303 0.72 BCAT2 (0.53) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL30002631 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EGLAGAAHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100358900-C Novel compounds ASTRAZENECA AB (SE) 2008-01-02 CN disclosed
EP-1587809-B1 THIENOPYRIDAZINONE DERIVATIVE AS MODULATORS OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2007-10-10 EP disclosed
US-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB, A SWEDEN CORPORATION 2006-10-05 US disclosed
CN-1761670-A Novel compounds ASTRAZENECA AB (SE) 2006-04-19 CN disclosed
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma ASTRAZENECA AB (SE) 2006-03-09 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-20060223809-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ALDH1A1 1279/4885KDM4E 1171/4885GLA 4001/4885
US-20060052380-A1 Thieno [2,3,-d]pyridazin-4(5H)-ones; modulation of autoimmune diseases with T-cell antiproliferatives; antiinflammatory; organ transplant rejection; AIDS; chronic obstructive pulmonary disease (COPD); asthma CD4, IL5, CCR6 ALDH1A1 1279/4885KDM4E 1171/4885GLA 4001/4885

“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.