SCHEMBL6194352

SCHEMBL6194352

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC(=O)OCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
ATM Q13315 2/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.52
ACACB O00763 7/20 0.48
ACACA Q13085 4/20 0.48
DRD2 P14416 2/20 0.48
SYK P43405 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6194348 1.00 KMT2A (0.53) KMT2AATMHTTMEN1ACACB
SCHEMBL25819172 0.87 ACACB (0.51) KMT2AATMMEN1ACACBACACA
SCHEMBL13668666 0.86 SYK (0.57) KMT2AATMACACBACACADRD2
SCHEMBL13666981 0.86 SYK (0.57) KMT2AATMACACBACACADRD2
SCHEMBL3261678 0.81 ALDH1A1 (0.59) KMT2AMEN1ACACBACACADRD2
SCHEMBL3261676 0.81 ALDH1A1 (0.59) KMT2AMEN1ACACBACACADRD2
SCHEMBL8238491 0.81 SYK (0.61) KMT2AMEN1SYKCYP1A2CYP3A4
SCHEMBL31334655 0.80 SYK (0.47) KMT2AATMMEN1ACACBACACA
SCHEMBL31333474 0.80 SYK (0.47) KMT2AATMMEN1ACACBACACA
SCHEMBL6028219 0.80 ALDH1A1 (0.53) KMT2AATMHTTDRD2CYP3A4

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
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 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 (2 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 KMT2A 923/4885ATM 2080/4885HTT 2090/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 KMT2A 479/4885ATM 4186/4885HTT 825/4885

“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.