SCHEMBL21020135

SCHEMBL21020135

Cc1cc(-c2cc(F)c(=O)n(Cc3ccc4c(c3)OCO4)c2)nc(S(=O)(=O)CCC(OCc2cccs2)c2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ USP2 O75604 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GNRHR P30968 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL21019775 0.91 GNRHR (0.33) ALDH1A1HSD17B10TP53GNRHRKMT2A
SCHEMBL21019479 0.91 TP53 (0.34) ALDH1A1HSD17B10TP53GNRHRKMT2A
SCHEMBL30526076 0.91 GNRHR (0.36) ALDH1A1HSD17B10TP53USP2SMN1; SMN2
SCHEMBL19806107 0.91 GNRHR (0.36) ALDH1A1HSD17B10TP53USP2SMN1; SMN2
SCHEMBL21019774 0.89 GNRHR (0.34) ALDH1A1NPSR1HSD17B10TP53USP2
SCHEMBL19805942 0.89 TP53 (0.35) ALDH1A1HSD17B10TP53GNRHRKMT2A
SCHEMBL30526107 0.89 TP53 (0.35) ALDH1A1HSD17B10TP53GNRHRKMT2A
SCHEMBL19805644 0.88 TP53 (0.35) ALDH1A1HSD17B10TP53GNRHRKMT2A
SCHEMBL21019776 0.88 GNRHR (0.34) ALDH1A1HSD17B10TP53GNRHRKMT2A
SCHEMBL21019924 0.88 ALDH1A1 (0.33) ALDH1A1HSD17B10TP53SMN1; SMN2GNRHR

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-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
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 ALDH1A1 550/4885NPSR1 4745/4885HSD17B10 110/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885NPSR1 4745/4885HSD17B10 110/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885NPSR1 4745/4885HSD17B10 110/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885NPSR1 4745/4885HSD17B10 110/4885

“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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