SCHEMBL3300666

SCHEMBL3300666

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
GAA P10253 2/20 0.40
KDM1A O60341 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAOB P27338 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CTSK P43235 2/20 0.35
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.34
EPHX1 P07099 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
SCHEMBL2712508 0.88 BTK (0.60) BTKGAAKDM1AMAOBNFKB1
SCHEMBL1503732 0.88 BTK (0.60) BTKGAAKDM1AMAOBNFKB1
SCHEMBL2712507 0.88 BTK (0.60) BTKGAAKDM1AMAOBNFKB1
Oxalic Acid SCHEMBL4114505 0.86 BTK (0.57) BTKGAAKDM1ACA1CA2
SCHEMBL15078163 0.84 BTK (0.46) BTKGAAKDM1AMAOBNFKB1
SCHEMBL4114507 0.84 BTK (0.46) BTKGAAKDM1AMAOBNFKB1
SCHEMBL31084797 0.84 BTK (0.46) BTKGAAKDM1AMAOBNFKB1
SCHEMBL16664806 0.84 BTK (0.46) BTKGAAKDM1AMAOBNFKB1
SCHEMBL31084801 0.84 BTK (0.46) BTKGAAKDM1AMAOBNFKB1
SCHEMBL31084800 0.84 BTK (0.46) BTKGAAKDM1AMAOBNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 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-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL BTK 13/4885GAA 1144/4885KDM1A 3872/4885
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 1356/4885GAA 4757/4885KDM1A 3525/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 BTK 280/4885GAA 4486/4885KDM1A 3728/4885

“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.