SCHEMBL5864700

SCHEMBL5864700

CCOC(=O)c1cc(Cc2ccccc2)sc1NCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
NPSR1 Q6W5P4 5/20 0.56
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 6/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 5/20 0.48
THRB P10828 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 4/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL27540979 0.86 ALDH1A1 (0.49) MAPTNPSR1ALDH1A1KDM4EHPGD
SCHEMBL5864710 0.83 CNR2 (0.50) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL16291516 0.79 MAPT (0.59) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL17951303 0.79 NPSR1 (0.55) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL5864727 0.78 ALDH1A1 (0.47) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL5864698 0.77 GAA (0.68) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL8137618 0.73 MAPT (0.44) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL5864540 0.73 MAPT (0.42) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL5864647 0.72 MAPT (0.44) MAPTNPSR1ALDH1A1KDM4ECYP3A4
SCHEMBL8143273 0.72 GAA (0.60) MAPTNPSR1ALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy ASTRAZENECA AB 2003-10-09 US disclosed
US-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease ASTRAZENECA AB. 2002-12-05 US disclosed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US disclosed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP disclosed
US-6342502-B1 ANTIASTHMATICS ASTRAZENECA AB (GB) 2002-01-29 US disclosed
US-6180635-B1 NOVEL THIENO(2,3-D)PYRIMIDINEDIONES WHICH EXHIBIT PHARMACOLOGICAL ACTIVITY, IN PARTICULAR IMMUNOSUPPRESSIVE ACTIVITY; TREATING ALLOGRAFT REJECTION ASTRAZENECA UK LIMITED (GB) 2001-01-30 US disclosed
EP-0991653-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-04-12 EP disclosed
WO-1998054190-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 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-20020183337-A1 For use in immunosuppression; for reducing the risk of, a reversible obstructive airways disease TPMT, TSLP, TYMP MAPT 3176/4885NPSR1 2594/4885ALDH1A1 799/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS MAPT 2731/4885NPSR1 3577/4885ALDH1A1 893/4885

“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.