Sugi Predict

Sugi Predict / Compounds / SCHEMBL6019038

SCHEMBL6019038

SCHEMBL6019038

CC(C)(C)OC(=O)CNC[C@H]1CC[C@H](CCC(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM7A Q6ZMT4 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PHF8 Q9UPP1 1/20 0.34
▸ KDM2A Q9Y2K7 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KLK7 P49862 2/20 0.33
▸ ACACB O00763 3/20 0.32
▸ ACACA Q13085 3/20 0.32
▸ S1PR1 P21453 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
SCHEMBL6018553 0.89 KMT2A (0.36) KMT2ASMN1; SMN2MAPTMEN1ATM
SCHEMBL6018556 0.89 KMT2A (0.36) KMT2ASMN1; SMN2MAPTMEN1ATM
SCHEMBL30028645 0.89 KMT2A (0.41) KMT2ASMN1; SMN2KDM4EPKMCTSS
SCHEMBL4805356 0.84 HRH3 (0.33) KMT2AMAPTMEN1ATMKDM5A
SCHEMBL5024026 0.83 KMT2A (0.54) KMT2ASMN1; SMN2MEN1ATMKDM4E
SCHEMBL6380333 0.81 KDM4E (0.43) KMT2AMAPTMEN1ATMKDM4E
SCHEMBL7816895 0.80 KMT2A (0.51) KMT2ACTSSCTSKACACBACACA
SCHEMBL15626787 0.80 KMT2A (0.40) KMT2AMAPTMEN1ATMCTSS
SCHEMBL5165563 0.79 CTSS (0.34) KMT2ASMN1; SMN2MAPTCTSSCTSK
SCHEMBL5164415 0.79 CTSS (0.34) KMT2ASMN1; SMN2MAPTCTSSCTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 — — EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 — — US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 — — US disclosed
EP-1456171-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 — — EP disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 — — US disclosed
WO-2003053919-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2003-07-03 — — WO 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 KMT2A 3669/4885SMN1; SMN2 4444/4885MAPT 4787/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 KMT2A 3436/4885SMN1; SMN2 4467/4885MAPT 4784/4885

“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.