SCHEMBL5865211

SCHEMBL5865211

Nc1sc(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.56
ALDH1A1 P00352 6/20 0.54
GAA P10253 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK10 P53779 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HNF4A P41235 1/20 0.46
PTPN1 P18031 4/20 0.44
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
USP2 O75604 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
SCHEMBL5105542 0.89 MAPT (0.56) ALOX15ALDH1A1GAAMEN1KMT2A
SCHEMBL23827487 0.85 GAA (0.53) ALOX15ALDH1A1GAAMEN1KMT2A
SCHEMBL1564819 0.83 MAPT (0.59) ALOX15ALDH1A1GAAMEN1KMT2A
SCHEMBL27459761 0.82 MAPT (0.60) ALOX15ALDH1A1GAAMEN1KMT2A
SCHEMBL23827442 0.81 ALDH1A1 (0.49) ALOX15ALDH1A1GAAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5099717 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1GAAMEN1KMT2A
SCHEMBL5422196 0.80 ALOX15 (0.51) ALOX15ALDH1A1GAAMEN1KMT2A
SCHEMBL27437249 0.78 MEN1 (0.49) ALOX15ALDH1A1GAAMEN1KMT2A
SCHEMBL5555718 0.77 ALDH1A1 (0.62) ALOX15ALDH1A1MEN1KMT2AHPGD
SCHEMBL23827460 0.76 KMT2A (0.50) ALOX15ALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
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
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 ALOX15 244/4885ALDH1A1 799/4885GAA 2829/4885
US-20030191142-A1 Thieno[2,3-d]pyrimidinediones, their preparation and use in therapy TYMP, DPYD, TYMS ALOX15 1410/4885ALDH1A1 893/4885GAA 2121/4885

“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.