SCHEMBL5866142

SCHEMBL5866142

CC(C)(N(c1cccc(OCCc2ccc(C#N)cc2)c1)S(=O)(=O)c1ccccc1)P(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 2/20 0.40
▸ NR3C1 P04150 3/20 0.40
▸ PGR P06401 1/20 0.40
▸ F2 P00734 5/20 0.39
▸ SQLE Q14534 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ KAT6A Q92794 1/20 0.35

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
SCHEMBL5866150 0.84 F2 (0.51) F2
SCHEMBL5866154 0.84 F2 (0.38) PPARAF2PPARGCA12CA1
SCHEMBL5866135 0.78 NR3C1 (0.46) NR3C1PGRF2POLBMAPT
SCHEMBL5866390 0.78 KEAP1 (0.53) NR3C1PGRPOLBFFAR1
SCHEMBL5866178 0.73 F2 (0.36) F2
SCHEMBL5866176 0.72 F2 (0.36) F2
SCHEMBL5866185 0.71 AR (0.56) PGRF2
SCHEMBL5866307 0.71 KEAP1 (0.43) PPARDPPARANR3C1PGRPPARG
SCHEMBL7425998 0.71 MAOB (0.58) PPARDPPARACA12CA1CA2
SCHEMBL5866160 0.67 F2 (0.55) PPARDPPARAF2MAPTCA12

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 PPARD 2698/4885PPARA 3313/4885NR3C1 4633/4885

“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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