SCHEMBL6894705

SCHEMBL6894705

COC(=O)CC(C1CCN(C(=O)OCc2ccccc2)CC1)N1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GPR119 Q8TDV5 1/20 0.47
YAP1 P46937 2/20 0.44
STS P08842 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NTSR1 P30989 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 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
SCHEMBL6894358 0.81 HTT (0.51) HTTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30368837 0.78 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL12526593 0.78 SMN1; SMN2 (0.52) HTTSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL5729171 0.78 SMN1; SMN2 (0.51) HTTSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL28647428 0.77 SMN1; SMN2 (0.58) HTTSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL15110164 0.77 MEN1 (0.51) GPR119STSMEN1KMT2AL3MBTL1
SCHEMBL4385886 0.77 SMN1; SMN2 (0.50) HTTSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL7657420 0.77 SMN1; SMN2 (0.50) HTTSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL30732246 0.76 GPR119 (0.57) HTTSMN1; SMN2NPC1RAB9AGPR119
SCHEMBL30731913 0.76 GPR119 (0.57) HTTSMN1; SMN2NPC1RAB9AGPR119

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.