SCHEMBL24512686

SCHEMBL24512686

CCOC(=O)C(=O)CC(=O)c1cc(F)cc2[nH]c(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ MAPT P10636 5/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ CREBBP Q92793 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
SCHEMBL24512550 0.81 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL24512630 0.81 HPGD (0.38) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL24512559 0.77 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL24512761 0.74 CREBBP (0.34) ALDH1A1NPSR1LMNACYP1A2TSHR
SCHEMBL3540104 0.70 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL9380892 0.69 NOS1 (0.42) NPSR1LMNACYP1A2TSHRKDM4E
SCHEMBL25415875 0.68 MAPT (0.47) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL3408623 0.66 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL31556440 0.65 ERCC5 (0.48) —
SCHEMBL10147411 0.65 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2KMT2AMEN1

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 2761/4885POLB 3262/4885SMN1; SMN2 3455/4885

“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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