SCHEMBL6079877

SCHEMBL6079877

CCOC(=O)C12CN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC(=O)N1CC1(CCN(c3ccncn3)CC1)O2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.50
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
F2 P00734 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
POLB P06746 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
SCHEMBL6078325 0.90 F10 (0.59) F10
SCHEMBL6078682 0.90 F10 (0.51) F10PLGPRSS1PRSS2PRSS3
SCHEMBL6079244 0.86 F10 (0.50) F10PLGPRSS1PRSS2PRSS3
SCHEMBL6495980 0.85 F10 (0.56) F10
SCHEMBL6078145 0.85 F10 (0.58) F10
SCHEMBL6079502 0.85 F10 (0.51) F10PLGPRSS1PRSS2PRSS3
SCHEMBL6078417 0.84 F10 (0.55) F10PLGPRSS1PRSS2PRSS3
SCHEMBL6079778 0.83 F10 (0.43) F10KMT2AKDM4EALDH1A1HPGD
SCHEMBL6079176 0.83 F10 (0.57) F10
SCHEMBL6079683 0.82 F10 (0.54) F10

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
US-7122662-B2 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-10-17 US disclosed
US-20050148769-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. 2005-07-07 US disclosed
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 US disclosed
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 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 (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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI F10 23/4885MEN1 1423/4885KMT2A 2943/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 F10 7/4885MEN1 631/4885KMT2A 3390/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 F10 7/4885MEN1 699/4885KMT2A 3342/4885

“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.