SCHEMBL3989086

SCHEMBL3989086

COC(=O)[C@H]1Cc2ccccc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
MAPT P10636 2/20 0.65
BACE1 P56817 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
EPHX2 P34913 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL644461 1.00 GAA (0.65) GAAMAPTBACE1KDM4EHSD17B10
SCHEMBL29569853 1.00 GAA (0.65) GAAMAPTBACE1KDM4EHSD17B10
SCHEMBL926891 1.00 GAA (0.65) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL7950878 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL30046451 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL6397031 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL926973 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
Methyl Alcohol SCHEMBL28795455 0.98 GAA (0.63) GAAMAPTBACE1KDM4EHSD17B10
SCHEMBL3256392 0.87 GAA (0.61) GAAMAPTKDM4EHSD17B10ALDH1A1
SCHEMBL7294748 0.84 GAA (0.61) GAAMAPTEPHX2SMYD3MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110592045-B Recombinant esterase, gene, engineering bacterium and application of recombinant esterase to resolution of (R, S) -indoline-2-ethyl formate 浙江工业大学 2021-04-06 CN disclosed
CN-109762768-B Bacillus B8W22 and application thereof 浙江工业大学 2020-08-21 CN disclosed
CN-110592045-A Recombinant esterase, gene, engineering bacterium and application of recombinant esterase to resolution of (R, S) -indoline-2-ethyl formate 浙江工业大学 2019-12-20 CN disclosed
EP-1687270-A4 METHOD FOR PREPARING (S)-INDOLINE-2-CARBOXYLIC ACID AND (S)-INDOLINE-2-CARBOXYLIC ACID METHYL ESTER USING HYDROLYTIC ENZYME SK HOLDINGS CO LTD (KR) 2009-05-20 EP disclosed
CN-100463903-C Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORP (KR) 2009-02-25 CN disclosed
US-7405070-B2 Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORPORATION (KR) 2008-07-29 US disclosed
US-20070077632-A1 Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORPORATION (KR) 2007-04-05 US disclosed
CN-1886373-A Method for preparing (s)-indoline-2-carboxylic acid and (s)-indoline-2-carboxylic acid methyl ester using hydrolytic enzyme SK CORP (KR) 2006-12-27 CN disclosed
EP-1687270-A1 METHOD FOR PREPARING (S)-INDOLINE-2-CARBOXYLIC ACID AND (S)-INDOLINE-2-CARBOXYLIC ACID METHYL ESTER USING HYDROLYTIC ENZYME SK Corporation (KR) 2006-08-09 EP disclosed
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005051910-A1 METHOD FOR PREPARING (S)-INDOLINE-2-CARBOXYLIC ACID AND (S)-INDOLINE-2-CARBOXYLIC ACID METHYL ESTER USING HYDROLYTIC ENZYME SK CORPORATION (KR) 2005-06-09 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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 (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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 GAA 637/4885MAPT 2386/4885BACE1 1551/4885

“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.