Sugi Predict

Sugi Predict / Compounds / SCHEMBL2149558

SCHEMBL2149558

SCHEMBL2149558

C[C@H](N)C(O)(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ POLB P06746 1/20 0.38
▸ GAA P10253 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTR1D P28221 2/20 0.34
▸ HTR1B P28222 1/20 0.34
▸ RXRA P19793 3/20 0.33
▸ RXRB P28702 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RXRG P48443 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HMGCR P04035 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL2149565 1.00 GABRA1 (0.46) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2232216 0.83 GABRA1 (0.43) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2149404 0.83 GABRA1 (0.43) GABRA1GABRB2POLBGAAMAPT
SCHEMBL295316 0.82 LMNA (0.46) GAAMAPTALDH1A1MEN1PKM
SCHEMBL2149957 0.78 GABRA1 (0.39) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2232056 0.78 GABRA1 (0.39) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2149363 0.77 GABRA1 (0.41) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2150025 0.77 GABRA1 (0.41) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2232253 0.77 GABRA1 (0.38) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2150178 0.77 GABRA1 (0.38) GABRA1GABRB2POLBGAAMAPT

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
EP-2341042-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-03-20 — — EP disclosed
US-8680328-B2 Method for producing optically active cyclopropane carboxylic acid ester compound, asymmetric copper complex, and optically active salicylideneaminoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-03-25 — — US disclosed
US-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 — — US disclosed
EP-2341042-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-07-06 — — 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-20110166372-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE CARBOXYLIC ACID ESTER COMPOUND, ASYMMETRIC COPPER COMPLEX, AND OPTICALLY ACTIVE SALICYLIDENEAMINOALCOHOL COMPOUND ALDH18A1, ALDH3A1, DECR1 GABRA1 346/4885GABRB2 566/4885POLB 2627/4885

“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.