SCHEMBL2936192

SCHEMBL2936192

CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H](OS(C)(=O)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
GPR119 Q8TDV5 6/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STS P08842 3/20 0.40

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
SCHEMBL4267063 1.00 HPGD (0.44) HPGDGPR119RECQLEPHX1PTPN2
SCHEMBL13379071 1.00 HPGD (0.44) HPGDGPR119RECQLEPHX1PTPN2
SCHEMBL12096414 1.00 HPGD (0.44) HPGDGPR119RECQLEPHX1PTPN2
SCHEMBL13934314 0.90 HPGD (0.43) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL16853641 0.90 HPGD (0.43) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL12035651 0.90 HPGD (0.43) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL38664069 0.90 HPGD (0.43) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL18811768 0.89 NR1H2 (0.47) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL2933886 0.89 NR1H2 (0.47) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL18811702 0.89 NR1H2 (0.47) HPGDGPR119RECQLEPHX1ALDH1A1

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-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-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
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 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 (4 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-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 HPGD 1610/4885GPR119 3846/4885RECQL 78/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R HPGD 1863/4885GPR119 3363/4885RECQL 26/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 HPGD 2942/4885GPR119 2399/4885RECQL 15/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HPGD 2022/4885GPR119 3378/4885RECQL 23/4885

“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.