SCHEMBL7112653

SCHEMBL7112653

COC(=O)CC(C1CCN(C(=O)OCc2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
TGM2 P21980 7/20 0.42
TGM1 P22735 7/20 0.42
F13A1 P00488 6/20 0.42
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP7 P09237 2/20 0.42
MMP9 P14780 2/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
TGM3 Q08188 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7120786 0.81 F10 (0.55) F10
SCHEMBL6894705 0.76 HTT (0.52) SMN1; SMN2ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL6181120 0.74 F10 (0.48) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL6894358 0.74 HTT (0.51) SMN1; SMN2HTTLMNAMMP1MMP3
SCHEMBL7049250 0.71 STS (0.43) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL932229 0.71 TGM2 (0.63) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL6079539 0.70 ENPP2 (0.43) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL6078754 0.69 ENPP2 (0.42) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL6079043 0.69 ENPP2 (0.45) SMN1; SMN2ALDH1A1HTTKDM4ELMNA
SCHEMBL5740739 0.69 P2RX7 (0.41) SMN1; SMN2ALDH1A1HTTKDM4ELMNA

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-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 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 (1 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 SMN1; SMN2 2803/4885ALDH1A1 2304/4885HTT 3990/4885

“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.