Sugi Predict

Sugi Predict / Compounds / SCHEMBL8229014

SCHEMBL8229014

SCHEMBL8229014

CCOC(=O)[C@H]1CCN[C@H]1c1cc(NC(=O)OC)ccc1S(=O)(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ MMP8 P22894 2/20 0.36
▸ MMP14 P50281 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ MAPT P10636 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
SCHEMBL8229018 1.00 KMT2A (0.44) KMT2AL3MBTL1LMNAMMP2MMP9
SCHEMBL8224294 1.00 KMT2A (0.44) KMT2AL3MBTL1LMNAMMP2MMP9
SCHEMBL8226789 1.00 KMT2A (0.44) KMT2AL3MBTL1LMNAMMP2MMP9
SCHEMBL8224166 0.90 KMT2A (0.43) KMT2AL3MBTL1LMNAMMP2MMP9
SCHEMBL8225901 0.90 KMT2A (0.43) KMT2AL3MBTL1LMNAMMP2MMP9
SCHEMBL8225896 0.89 L3MBTL1 (0.35) KMT2AL3MBTL1LMNAMMP2MMP9
Hydrochloric Acid SCHEMBL2527292 0.88 ALDH1A1 (0.36) KMT2ALMNAMMP2MMP9MMP8
SCHEMBL11421247 0.82 MMP2 (0.39) KMT2ALMNAMMP2MMP9MMP8
SCHEMBL11418171 0.82 MMP2 (0.39) KMT2ALMNAMMP2MMP9MMP8
SCHEMBL11416810 0.82 MMP2 (0.39) KMT2ALMNAMMP2MMP9MMP8

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-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
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 KMT2A 2039/4885L3MBTL1 2078/4885LMNA 727/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 KMT2A 1210/4885L3MBTL1 2634/4885LMNA 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.