SCHEMBL24512559

SCHEMBL24512559

CCOC(=O)C(=O)CC(=O)c1ccc(F)c2[nH]c(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL24512550 0.79 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24512686 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL29775615 0.74 CES2 (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL21047313 0.74 CES2 (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24512725 0.74 GRM5 (0.35) CYP1A2KDM4E
SCHEMBL6183467 0.71 ALDH1A1 (0.38) ALDH1A1NPSR1LMNATSHRCYP1A2
SCHEMBL16111871 0.71 ERCC5 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL25415875 0.71 MAPT (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1739431 0.70 ERCC5 (0.61) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL30271604 0.70 ERCC5 (0.61) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 — — 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 (1 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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885SMN1; SMN2 3455/4885POLB 3262/4885

“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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