SCHEMBL6894358

SCHEMBL6894358

COC(=O)CC(C1CCN(C(=O)OCc2ccccc2)CC1)N1CCNCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.45
GRIN2B Q13224 9/20 0.42
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
IDH1 O75874 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 3/20 0.40
LMNA P02545 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 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
SCHEMBL6894705 0.81 HTT (0.52) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL15000802 0.75 SMN1; SMN2 (0.57) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL25202798 0.74 SMN1; SMN2 (0.55) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL7132652 0.72 SMN1; SMN2 (0.65) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL12539560 0.72 SMN1; SMN2 (0.65) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL6505251 0.72 HTT (0.54) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL14514898 0.72 SMN1; SMN2 (0.68) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2861277 0.72 SMN1; SMN2 (0.62) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL457705 0.72 SMN1; SMN2 (0.61) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2527774 0.71 HTT (0.67) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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 HTT 3990/4885SMN1; SMN2 2803/4885NPC1 4444/4885

“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.