SCHEMBL21848147

SCHEMBL21848147

CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(F)c2c(=O)o1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.39
CASP3 P42574 1/20 0.39
MDM4 O15151 2/20 0.38
TP53 P04637 2/20 0.38
MDM2 Q00987 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL9396527 0.82 ELANE (0.49) CASP3
SCHEMBL9396521 0.82 ELANE (0.49) CASP3
SCHEMBL21809386 0.80 PIK3CG (0.50) MDM4TP53MDM2
SCHEMBL21809388 0.80 PIK3CG (0.50) MDM4TP53MDM2
SCHEMBL16822334 0.79 ELANE (0.43)
SCHEMBL9396722 0.78 ELANE (0.44) CASP3
SCHEMBL9396718 0.78 ELANE (0.44) CASP3
SCHEMBL801052 0.70 CASP3 (0.43) CASP3MDM4TP53MDM2EPHX2
SCHEMBL15597727 0.69 ALDH1A1 (0.39) TP53KMT2A
SCHEMBL6795717 0.68 KMT2A (0.54) CASP3MDM4TP53EPHX2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870650-B2 Process for the preparation of amorphous idelalisib NATCO PHARMA LIMITED (IN) 2020-12-22 US disclosed
US-20200095249-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS IDELALISIB NATCO PHARMA LIMITED (IN) 2020-03-26 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 (2 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-20200095249-A1 PROCESS FOR THE PREPARATION OF AMORPHOUS IDELALISIB IDE, PDE8B, PCSK9 CXCR2 2458/4885CASP3 3245/4885MDM4 1621/4885
US-10870650-B2 Process for the preparation of amorphous idelalisib IDE, PDE8B, PCSK9 CXCR2 2458/4885CASP3 3245/4885MDM4 1621/4885

“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.