Sugi Predict

Sugi Predict / Compounds / SCHEMBL9968974

SCHEMBL9968974

SCHEMBL9968974

CCC1C=C(C(C)(C)C)C(=O)O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ CES2 O00748 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL11961374 0.72 ALDH1A1 (0.39) ALDH1A1MAPTATMMCL1CES2
SCHEMBL264798 0.72 — —
SCHEMBL15677121 0.72 ALDH1A1 (0.39) ALDH1A1MAPTATMMCL1CES2
SCHEMBL12684665 0.72 — —
SCHEMBL14269887 0.72 ALDH1A1 (0.39) ALDH1A1MAPTATMMCL1CES2
SCHEMBL26079654 0.71 — —
SCHEMBL10066091 0.71 NR1H4 (0.34) —
SCHEMBL9968969 0.71 ALDH1A1 (0.36) ALDH1A1MAPTATMMCL1CES2
SCHEMBL14781820 0.71 — —
SCHEMBL10033709 0.71 USP2 (0.47) ALDH1A1MAPTATMMCL1CES2

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
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 — — US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 — — US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER INC. 2009-12-24 — — US disclosed
US-20090306389-A1 Intermediate products for producing oxazolidinone-quinolone hybrids MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2009-12-10 — — US 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 (5 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885MAPT 4552/4885ATM 4025/4885
US-20090306389-A1 Intermediate products for producing oxazolidinone-quinolone hybrids OXA1L, NQO1, NQO2 ALDH1A1 1021/4885MAPT 4328/4885ATM 4008/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885MAPT 4552/4885ATM 4025/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885MAPT 4552/4885ATM 4025/4885
US-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS HRH2, HRH1, HRH4 ALDH1A1 3351/4885MAPT 4856/4885ATM 4680/4885

“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.