SCHEMBL20764461

SCHEMBL20764461

C=CCOc1c(C(=O)OC(C)(C)C)ccc(N)c1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRB2 P07550 3/20 0.34
▸ ADRB1 P08588 3/20 0.34
▸ ADRB3 P13945 3/20 0.34
▸ TP53 P04637 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ P2RX3 P56373 1/20 0.30

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
SCHEMBL20764572 0.88 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL31311112 0.86 MAPT (0.41) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL20764500 0.82 ALDH1A1 (0.34) ALDH1A1KDM4EGAAHIF1ACYP3A4
SCHEMBL20764511 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL20786871 0.78 NPC1 (0.39) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL20764555 0.76 SMN1; SMN2 (0.44) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL15956197 0.75 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL31311063 0.74 SMN1; SMN2 (0.42) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL22100074 0.71 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRKDM4EHPGD
SCHEMBL31311198 0.71 MAPT (0.48) ALDH1A1TSHRKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 — — CN disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 — — US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 — — EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 — — US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 — — CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — WO disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 — — 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 (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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 ALDH1A1 2016/4885HSD17B10 1012/4885TSHR 1997/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 ALDH1A1 2382/4885HSD17B10 1026/4885TSHR 2455/4885

“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.

Send feedback