SCHEMBL5866100

SCHEMBL5866100

Cc1cc(OCCc2ccc(C#N)cc2)cc(N(CC(=O)O)S(=O)(=O)c2ccccc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 9/20 0.43
▸ KEAP1 Q14145 4/20 0.42
▸ NFE2L2 Q16236 4/20 0.42
▸ HCRTR2 O43614 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ PRSS2 P07478 4/20 0.38
▸ CTRC Q99895 4/20 0.38
▸ RORC P51449 2/20 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
SCHEMBL5866307 0.89 KEAP1 (0.43) KEAP1NFE2L2TSHRPPARDPPARA
SCHEMBL5866177 0.86 F2 (0.54) F2KEAP1NFE2L2HCRTR2TSHR
SCHEMBL5866157 0.85 F2 (0.41) F2PPARDPPARAMMP1MMP9
SCHEMBL5866153 0.85 F2 (0.42) F2KEAP1NFE2L2PPARDPPARA
SCHEMBL5866179 0.85 F2 (0.44) F2KEAP1NFE2L2HCRTR2TSHR
SCHEMBL5866129 0.84 F2 (0.40) F2PPARDPPARAMMP1MMP9
SCHEMBL5866230 0.83 F2 (0.39) F2PPARDPPARAPRSS2CTRC
SCHEMBL5866244 0.82 HCRTR2 (0.43) F2KEAP1NFE2L2HCRTR2TSHR
SCHEMBL5866249 0.80 F2 (0.54) F2HCRTR2PRSS2CTRC
SCHEMBL5866390 0.77 KEAP1 (0.53) KEAP1NFE2L2

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
US-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US disclosed
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 — — WO 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

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 2/4885KEAP1 4086/4885NFE2L2 4578/4885

“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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