SCHEMBL5866152

SCHEMBL5866152

Cc1cc(O)cc(OCCc2ccc(C(N)=NC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.38
▸ PPARA Q07869 6/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ PARP10 Q53GL7 2/20 0.37
▸ PPARG P37231 3/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7424591 0.82 GAA (0.49) F2PPARAPPARDPARP10CACNA1B
SCHEMBL5866124 0.77 CHRNB2 (0.44) PPARDMAPTL3MBTL1
SCHEMBL5866235 0.77 CACNA1B (0.53) F2CACNA1B
Hydrochloric Acid SCHEMBL5866267 0.76 CACNA1B (0.52) F2CACNA1B
SCHEMBL5866233 0.70 F2 (0.41) F2PPARAPPARDPPARG
SCHEMBL5866239 0.70 F2 (0.41) F2PPARAPPARDPPARG
SCHEMBL5866156 0.69 F2 (0.34) F2TDP1ALDH1A1MAPT
SCHEMBL5866148 0.69 F2 (0.34) F2TDP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5866265 0.69 F2 (0.40) F2PPARAPPARDPPARG
SCHEMBL5866133 0.68 PPARD (0.48) F2PPARAPPARDPPARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US disclosed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP disclosed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 — — US disclosed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — US disclosed
EP-0917528-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS Astra Aktiebolag (SE) 1999-05-26 — — EP disclosed
WO-1998001422-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-01-15 — — 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 (1 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-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors SERPINC1, F2, SERPINE1 F2 2/4885PPARA 3313/4885PPARD 2698/4885

“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.

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