SCHEMBL6078874

SCHEMBL6078874

O=C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC2(CO)NC3(CCN(Cc4ccccc4)CC3)CN12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.71
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
TRPV4 Q9HBA0 1/20 0.40
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ADAMTS4 O75173 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37

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
SCHEMBL4564514 0.92 F10 (0.60) F10ALDH1A1KDM4ETRPV4TSHR
SCHEMBL4522849 0.90 F10 (0.58) F10ALDH1A1KDM4ETRPV4TSHR
SCHEMBL7261609 0.89 F10 (0.57) F10ALDH1A1KDM4ETRPV4TSHR
SCHEMBL6079421 0.86 F10 (0.73) F10TRPV4
SCHEMBL6078570 0.83 F10 (1.00) F10
SCHEMBL4246121 0.82 F10 (0.51) F10ALDH1A1KDM4ETRPV4TSHR
SCHEMBL6079274 0.81 F10 (0.47) F10ALDH1A1KDM4ETRPV4TSHR
SCHEMBL6079173 0.79 F10 (0.46) F10ALDH1A1KDM4ETRPV4TSHR
SCHEMBL4534417 0.77 F10 (0.45) F10ALDH1A1KDM4ETRPV4TSHR
SCHEMBL6079458 0.77 F10 (0.44) F10ALDH1A1KDM4ETRPV4TSHR

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 23/4885ALDH1A1 1517/4885KDM4E 3861/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 F10 7/4885ALDH1A1 1073/4885KDM4E 4378/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 F10 7/4885ALDH1A1 1791/4885KDM4E 4403/4885

“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.