SCHEMBL29397620

SCHEMBL29397620

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL20521342 0.86 MEN1 (0.39) MAPTALDH1A1TDP1KMT2AL3MBTL1
SCHEMBL20521343 0.86 MEN1 (0.39) MAPTALDH1A1TDP1KMT2AL3MBTL1
SCHEMBL18703701 0.86 MAPT (0.40) MAPTKDM4EKMT2AL3MBTL1NPC1
SCHEMBL17164338 0.83 MAPT (0.43) MAPTKDM4EALDH1A1TDP1CRHBP
SCHEMBL20521149 0.82 MEN1 (0.37) MAPTKMT2AL3MBTL1NPC1MEN1
SCHEMBL22332691 0.81 BRD4 (0.40) MAPTL3MBTL1BRD4PDE3BPDE3A
SCHEMBL18732391 0.81 PDE3B (0.41) MAPTTDP1L3MBTL1BRD4PDE3B
SCHEMBL20521496 0.80 LSS (0.36) MAPTKMT2AL3MBTL1NPC1MEN1
SCHEMBL26600379 0.77 MEN1 (0.45) MAPTKDM4EALDH1A1TDP1CRHBP
SCHEMBL13215383 0.77 MAPT (0.44) MAPTKDM4EALDH1A1TDP1CRHBP

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 MAPT 4662/4885KDM4E 2457/4885ALDH1A1 2433/4885
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB MAPT 4687/4885KDM4E 2686/4885ALDH1A1 2938/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MAPT 4662/4885KDM4E 2457/4885ALDH1A1 2433/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MAPT 4662/4885KDM4E 2457/4885ALDH1A1 2433/4885
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PPIB, RHEB MAPT 4662/4885KDM4E 2457/4885ALDH1A1 2433/4885

“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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