SCHEMBL29395669

SCHEMBL29395669

CCOC(=O)CCCOc1cc(C[S@@](C)(=O)=NC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33

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
SCHEMBL20521110 0.89 CA12 (0.34) KMT2AMAPTL3MBTL1RAB9ALMNA
SCHEMBL18703755 0.89 PPARD (0.36) KMT2AMAPTL3MBTL1LMNANPC1
SCHEMBL22626767 0.85 CA12 (0.35) TDP1KMT2AMAPTCRHBPCRHR2
SCHEMBL25748413 0.84 BRD4 (0.37) L3MBTL1BRD4PDK2CYSLTR2CYSLTR1
SCHEMBL23811986 0.84 BRD4 (0.36) BRD4PDK2CYSLTR2CYSLTR1PDE3B
SCHEMBL25748035 0.84 CA12 (0.32) ALDH1A1TDP1KMT2AMAPTCRHBP
SCHEMBL18732525 0.79 RAB9A (0.39) ALDH1A1TDP1MAPK1KMT2AMAPT
SCHEMBL18732237 0.77 ALOX5 (0.38) ALDH1A1MAPTRAB9ALMNANPC1
SCHEMBL18732130 0.77 CDK2 (0.35) BRD4PDK2CYSLTR2CYSLTR1PDE3B
SCHEMBL22332589 0.76 BRD4 (0.34) BRD4PDK2CYSLTR2CYSLTR1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 — — US disclosed
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-08 — — US disclosed
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-25 — — US disclosed
US-11254690-B2 PTEFb inhibiting macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-02-22 — — US disclosed
US-11242356-B2 PTEFb inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2022-02-08 — — 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 (5 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-11242356-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB ALDH1A1 2433/4885TDP1 3133/4885MAPK1 1509/4885
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB ALDH1A1 2938/4885TDP1 3371/4885MAPK1 1246/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB ALDH1A1 2433/4885TDP1 3133/4885MAPK1 1509/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB ALDH1A1 2433/4885TDP1 3133/4885MAPK1 1509/4885
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PPIB, RHEB ALDH1A1 2433/4885TDP1 3133/4885MAPK1 1509/4885

“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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