SCHEMBL1101522

SCHEMBL1101522

C[C@H](NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
LMNA P02545 2/20 0.77
NPC1 O15118 1/20 0.77
ROCK2 O75116 1/20 0.69
RPS6KA5 O75582 1/20 0.69
MAP4K4 O95819 1/20 0.69
CDK1 P06493 1/20 0.69
CSF1R P07333 1/20 0.69
PRKACA P17612 1/20 0.69
FLT1 P17948 1/20 0.69
RPS6KB1 P23443 1/20 0.69
CDK2 P24941 1/20 0.69
MAPK1 P28482 1/20 0.69
AKT1 P31749 1/20 0.69
FLT4 P35916 1/20 0.69
KDR P35968 1/20 0.69
FLT3 P36888 1/20 0.69
GSK3A P49840 1/20 0.69
GSK3B P49841 1/20 0.69

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
SCHEMBL5968858 1.00 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL751213 1.00 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL28651689 0.89 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL9318785 0.89 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL17369057 0.89 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL29135907 0.89 SMN1; SMN2 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL3755011 0.89 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL3756762 0.89 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL2919150 0.89 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2
SCHEMBL13947536 0.89 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNANPC1ROCK2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111699250-A Carboxyesterase polypeptides for amide coupling 科德克希思公司 2020-09-22 CN claimed
US-20190177707-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-06-13 US claimed
US-12286653-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2025-04-29 US disclosed
CN-111699250-B Carboxylesterase polypeptides for amide coupling 科德克希思公司 2024-01-09 CN disclosed
US-20220055983-A1 AMINE-BORANES AS BIFUNCTIONAL REAGENTS FOR DIRECT AMIDATION OF CARBOXYLIC ACIDS PURDUE RESEARCH FOUNDATION (US) 2022-02-24 US disclosed
US-20210238565-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-08-05 US disclosed
US-20210238565-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-08-05 US disclosed
US-11015180-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2021-05-25 US disclosed
US-11015180-B2 Carboxyesterase polypeptides for amide coupling CODEXIS, INC. (US) 2021-05-25 US disclosed
CN-111699250-A Carboxyesterase polypeptides for amide coupling 科德克希思公司 2020-09-22 CN disclosed
US-20190177707-A1 CARBOXYESTERASE POLYPEPTIDES FOR AMIDE COUPLING INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2019-06-13 US disclosed
CN-101072745-A Novel diazaphospholane ligands for asymmetric catalysis DOW CHEMICAL CO (US) 2007-11-14 CN disclosed
EP-1534676-A1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE Oxford GlycoSciences (UK) Limited (GB) 2005-06-01 EP disclosed
EP-1509499-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2005-03-02 EP disclosed
WO-2004007453-A1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-22 WO disclosed
WO-2003101959-A1 PYRROLE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2003-12-11 WO disclosed
US-20010018422-A1 Dolastatin 15 derivatives BASF AKTIENGESELLSCHAFT 2001-08-30 US disclosed
EP-1093460-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-04-25 EP disclosed
WO-2000002906-A1 DOLASTATIN 15 DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-01-20 WO disclosed
US-5985837-A CELL GROWTH INHIBITOR PEPTIDES; TREATING CANCER IN A MAMMAL BASF AKTIENGESELLSCHAFT (DE) 1999-11-16 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 (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-20010018422-A1 Dolastatin 15 derivatives SLCO2B1, SLCO2A1, DDOST ALDH1A1 768/4885SMN1; SMN2 3194/4885LMNA 1809/4885
US-20220055983-A1 AMINE-BORANES AS BIFUNCTIONAL REAGENTS FOR DIRECT AMIDATION OF CARBOXYLIC ACIDS BRS3, CCKBR, PAM ALDH1A1 2159/4885SMN1; SMN2 2085/4885LMNA 3031/4885

“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.