SCHEMBL6896025

SCHEMBL6896025

CC(C)(C)OC(=O)C(N1C=CN(C(=O)OCc2ccccc2)CC1=O)C1(C(=O)OC(C)(C)C)CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASP1 P29466 4/20 0.34
POLB P06746 1/20 0.34
PARP1 P09874 1/20 0.34
CTSL P07711 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL6892112 0.84 HTR2C (0.36) HTR2CNPC1GAAMAPK1RAB9A
SCHEMBL6893907 0.77 HTR2C (0.40) HTR2CNPC1GAAMAPK1RAB9A
SCHEMBL6896041 0.73 CTSL (0.39) HTR2CNPC1RAB9ASMN1; SMN2CASP1
SCHEMBL6896015 0.70 TACR1 (0.40) NPC1RAB9ASMN1; SMN2PARP1MEN1
SCHEMBL21946048 0.70 HTR2C (0.40) HTR2CNPC1GAAMAPK1RAB9A
SCHEMBL5729683 0.70 SYK (0.43) HTR2CNPC1GAAMAPK1RAB9A
SCHEMBL3981472 0.68 HTR2C (0.46) HTR2CNPC1GAAMAPK1RAB9A
SCHEMBL13101483 0.67 HTR2C (0.49) HTR2CNPC1RAB9ASMN1; SMN2PARP1
SCHEMBL31397027 0.65 MEN1 (0.49) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL5750735 0.65 MEN1 (0.51) HTR2CNPC1RAB9ASMN1; SMN2MEN1

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 HTR2C 2087/4885NPC1 4444/4885GAA 3762/4885

“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.