Sugi Predict

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SCHEMBL3092891

SCHEMBL3092891

COC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1c1cc([N+](=O)[O-])ccc1SC(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ DRD2 P14416 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ PDE4B Q07343 2/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL12219935 1.00 MAPT (0.40) MAPTALDH1A1LMNADRD2GHSR
SCHEMBL3085742 1.00 MAPT (0.40) MAPTALDH1A1LMNADRD2GHSR
SCHEMBL2908785 1.00 MAPT (0.40) MAPTALDH1A1LMNADRD2GHSR
SCHEMBL3077165 0.84 MAPT (0.40) MAPTALDH1A1LMNADRD2GHSR
SCHEMBL2916506 0.84 MAPT (0.40) MAPTALDH1A1LMNADRD2GHSR
SCHEMBL11351145 0.84 MAPT (0.40) MAPTALDH1A1LMNADRD2GHSR
SCHEMBL11351128 0.84 MAPT (0.40) MAPTALDH1A1LMNADRD2GHSR
SCHEMBL2908580 0.83 NR1H2 (0.36) MAPTALDH1A1KMT2APDE4BNR1H2
SCHEMBL2908576 0.83 NR1H2 (0.36) MAPTALDH1A1KMT2APDE4BNR1H2
SCHEMBL13628497 0.83 MAPT (0.42) MAPTALDH1A1LMNADRD2GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 — — EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 — — EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 — — 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 MAPT 3493/4885ALDH1A1 4405/4885LMNA 727/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 MAPT 1524/4885ALDH1A1 2361/4885LMNA 285/4885

“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.