SCHEMBL17164338

SCHEMBL17164338

CCOC(=O)CCCOc1cc(CSC)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 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
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TNF P01375 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDK2 Q15119 1/20 0.36

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
SCHEMBL18738709 0.90 BRD4 (0.41) MAPTKDM4EBRD4TNFCYSLTR2
SCHEMBL20522004 0.86 MAPT (0.39) MAPTALDH1A1TDP1L3MBTL1NPC1
SCHEMBL29397620 0.83 MAPT (0.43) MAPTKDM4EALDH1A1TDP1CRHBP
SCHEMBL17164367 0.82 S1PR4 (0.38) MAPTALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL18703334 0.81 MAPT (0.43) MAPTNPC1KMT2AMAPK1MEN1
SCHEMBL28108700 0.81 PPARA (0.42) MAPTALDH1A1L3MBTL1NPC1KMT2A
SCHEMBL17164357 0.81 CHRNB4 (0.37) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL21854579 0.80 MAPT (0.37) MAPTCRHBPCRHR2L3MBTL1KMT2A
SCHEMBL20448215 0.80 MAPT (0.38) MAPTALDH1A1CRHBPCRHR2L3MBTL1
SCHEMBL21943236 0.79 BRD4 (0.41) MAPTALDH1A1TDP1L3MBTL1BRD4

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 32 patents — showing the first 20. 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
EP-3601253-B1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AG (DE) 2021-09-15 — — EP disclosed
CN-108290903-B Novel macrocyclic sulfondiimine compounds 拜耳医药股份有限公司 2021-09-03 — — CN disclosed
CN-108368129-B Modified macrocyclic compounds 拜耳医药股份有限公司 2021-08-17 — — CN disclosed
US-20200347079-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-11-05 — — US disclosed
EP-3359544-B1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS Bayer Pharma AG (DE) 2020-08-12 — — EP disclosed
EP-3356373-A1 NOVEL MACROCYCLIC SULFONDIIMINE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-08-08 — — EP disclosed
US-9963464-B2 Macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-08 — — US disclosed
WO-2017060322-A2 PTEFB-INHIBITOR-ADC BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — WO disclosed
WO-2017060167-A1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — WO disclosed
WO-2017060322-A2 PTEFB-INHIBITOR-ADC BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — WO disclosed
EP-3129387-A1 NOVEL MACROCYCLIC COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-02-15 — — EP disclosed
US-20170029439-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 — — US disclosed
US-20170029439-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 — — US disclosed
WO-2015155197-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-15 — — WO disclosed
WO-2015155197-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-15 — — 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 (7 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-20170029439-A1 NOVEL MACROCYCLIC COMPOUNDS PCNA, CCNI, PKD1 MAPT 3927/4885KDM4E 4683/4885ALDH1A1 1483/4885
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-20200347079-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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