SCHEMBL21020514

SCHEMBL21020514

Cc1cc(-c2cc(F)c(=O)n(Cc3ccc4c(c3)OCO4)c2)nc(S(=O)(=O)CCC(OCC2CCC2)c2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 3/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ TP53 P04637 2/20 0.33
▸ PDE5A O76074 2/20 0.32
▸ MCHR1 Q99705 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SDHB P21912 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21020513 0.99 GNRHR (0.35) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL21020136 0.98 GNRHR (0.35) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL19805615 0.97 GNRHR (0.36) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL21019480 0.95 GNRHR (0.34) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL21019926 0.94 GNRHR (0.34) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL19805643 0.94 GNRHR (0.36) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL19805632 0.94 GNRHR (0.35) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL21019781 0.93 GNRHR (0.34) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL21019777 0.92 GNRHR (0.33) GNRHRALDH1A1TP53PDE5AMCHR1
SCHEMBL21019844 0.92 GNRHR (0.35) GNRHRALDH1A1TP53PDE5AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 — — US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 — — US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — 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 (4 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB GNRHR 3014/4885ALDH1A1 550/4885TP53 160/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB GNRHR 3014/4885ALDH1A1 550/4885TP53 160/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB GNRHR 3014/4885ALDH1A1 550/4885TP53 160/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB GNRHR 3014/4885ALDH1A1 550/4885TP53 160/4885

“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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