SCHEMBL2940111

SCHEMBL2940111

CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)O)CC[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.46
▸ KDM1A O60341 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ KCNA3 P22001 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ BRD9 Q9H8M2 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ ACACB O00763 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
SCHEMBL2940110 1.00 BTK (0.46) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL18581937 0.92 KDM1A (0.42) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL1503979 0.88 KMT2A (0.41) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL13394301 0.88 KMT2A (0.41) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL13379236 0.88 KMT2A (0.41) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL18603320 0.86 KDM1A (0.41) BTKKDM1AMAOBKMT2AL3MBTL1
SCHEMBL13379232 0.85 KDM1A (0.43) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL2941844 0.84 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL2941841 0.84 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1CKS1B
SCHEMBL13379255 0.84 KDM1A (0.42) KDM1AMAOBKMT2AL3MBTL1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 — — US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 — — US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 — — US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 — — US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 — — US disclosed
US-7365205-B2 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-04-29 — — US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP 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 (9 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 BTK 420/4885KDM1A 1134/4885MAOB 161/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL BTK 13/4885KDM1A 3872/4885MAOB 493/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 BTK 1356/4885KDM1A 3525/4885MAOB 2043/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R BTK 1117/4885KDM1A 3445/4885MAOB 2668/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 BTK 280/4885KDM1A 3728/4885MAOB 2189/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BTK 1384/4885KDM1A 3462/4885MAOB 2497/4885

“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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