SCHEMBL5864648

SCHEMBL5864648

CC(C)Nc1sc(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 4/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
ALOX15 P16050 2/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK10 P53779 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GRIN2C Q14957 1/20 0.41
ALOX5 P09917 1/20 0.40
HNF4A P41235 1/20 0.40
PTPN1 P18031 4/20 0.38
PTPN2 P17706 1/20 0.38
PTPN6 P29350 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
SCHEMBL27540979 0.84 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL6317833 0.79 NPSR1 (0.55) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL5555718 0.79 ALDH1A1 (0.62) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL5865211 0.73 ALOX15 (0.56) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL6030460 0.73 EPHX1 (0.54) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL5192913 0.72 NPSR1 (0.48) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL5096639 0.70 ALDH1A1 (0.73) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL24489117 0.70 ALDH1A1 (0.70) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL5864700 0.70 MAPT (0.56) ALDH1A1MAPTNPSR1KDM4EHPGD
SCHEMBL24489106 0.70 ALDH1A1 (0.76) ALDH1A1MAPTNPSR1KDM4EHPGD

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
CN-1122037-C Thieno [2, 3-d ] pyrimidinediones, preparation method and use thereof, and pharmaceutical compositions containing the same ASTRA PHARMA PROD (GB) 2003-09-24 CN 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
CN-1264382-A Novel compounds ASTRA PHARMA PROD (GB) 2000-08-23 CN 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 ALDH1A1 799/4885MAPT 3176/4885NPSR1 2594/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS ALDH1A1 893/4885MAPT 2731/4885NPSR1 3577/4885

“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.