SCHEMBL21761667

SCHEMBL21761667

CC(C)CC(=O)Nc1cccc2c1C(=O)N(CCS(C)(=O)=O)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL7794720 0.85 AHR (0.51) HPGDMAPTALDH1A1KDM4EGAA
SCHEMBL23962919 0.74 HPGD (0.50) HPGDMAPTALDH1A1KDM4EGAA
SCHEMBL1306411 0.70 GLS (0.53) HPGDKMT2AMEN1
SCHEMBL21335854 0.67 AHR (0.52) HPGDMAPTALDH1A1KDM4EGAA
SCHEMBL21761651 0.67 SMN1; SMN2 (0.37) HPGDALDH1A1GAAKMT2AMAPK1
SCHEMBL7009198 0.66 MEN1 (0.52) HPGDMAPTALDH1A1KDM4EGAA
SCHEMBL21761627 0.66 CA1 (0.39) HPGDALDH1A1KDM4EGAAKMT2A
SCHEMBL12284941 0.66 SMN1; SMN2 (0.59) HPGDMAPTALDH1A1GAAKMT2A
SCHEMBL14876516 0.65 CA12 (0.53) HPGDMAPTALDH1A1KDM4EGAA
SCHEMBL24182074 0.65 AHR (0.50) HPGDMAPTALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-24 — — US disclosed
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-19 — — US disclosed
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2020-02-27 — — 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 (3 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-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C HPGD 80/4885MAPT 1210/4885ALDH1A1 489/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C HPGD 122/4885MAPT 1566/4885ALDH1A1 773/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C HPGD 81/4885MAPT 1273/4885ALDH1A1 509/4885

“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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