SCHEMBL1148039

SCHEMBL1148039

CCOc1ccc(OCC(C)(N)C(=O)N2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 6/20 0.60
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
Benzene SCHEMBL1148101 0.77 FKBP1A (0.51) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL1148098 0.74 FKBP1A (0.47) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL1148153 0.72 ALDH1A1 (0.49) ALDH1A1HPGDLMNAMAPTRAB9A
SCHEMBL19357201 0.71 LMNA (0.66) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL20866527 0.70 RAB9A (0.81) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL15005300 0.68 FKBP1A (0.59) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL4720540 0.68 MAPT (0.59) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL12359393 0.68 FKBP1A (1.00) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL23732382 0.68 FKBP1A (0.57) FKBP1AALDH1A1HPGDLMNAMAPT
SCHEMBL4176542 0.67 SMN1; SMN2 (0.51) ALDH1A1HPGDMAPTSMN1; SMN2TP53

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
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 — — US disclosed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 — — US disclosed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 — — EP disclosed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 — — 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 (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-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives C3AR1, GLRA1, C5AR1 FKBP1A 3746/4885ALDH1A1 1621/4885HPGD 3872/4885

“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.

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