SCHEMBL10013432

SCHEMBL10013432

COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@@H]1c1ccc(C(=O)O)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 9/20 0.62
▸ CYP2C9 P11712 6/20 0.62
▸ ADRB1 P08588 1/20 0.62
▸ HTR1A P08908 1/20 0.62
▸ HRH3 Q9Y5N1 1/20 0.62
▸ LMNA P02545 2/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ GUSB P08236 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ NTSR1 P30989 1/20 0.45
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL7906666 1.00 ELANE (0.62) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7903282 0.95 ELANE (0.63) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10013424 0.93 ELANE (0.61) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10041854 0.89 ELANE (0.62) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7901491 0.89 ELANE (0.62) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10041872 0.88 ELANE (0.61) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10041873 0.88 ELANE (0.61) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7905406 0.87 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10013429 0.87 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8055913 0.86 ELANE (0.65) ELANECYP2C9ADRB1HTR1AHRH3

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-8455505-B2 Pyrrolopyrimidinedione and its therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 — — US disclosed
US-8455505-B2 Pyrrolopyrimidinedione and its therapeutic use CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 — — US disclosed
EP-2391629-B1 DIMERIC PYRROLOPYRIMIDINEDIONE AND ITS USE IN THERAPY OF RESPIRATORY DISEASES CHIESI FARMA SPA (IT) 2012-10-31 — — EP disclosed
US-20120027692-A1 PYRROLOPYRIMIDINEDIONE AND ITS THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-02-02 — — US disclosed
US-20120027692-A1 PYRROLOPYRIMIDINEDIONE AND ITS THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-02-02 — — 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-20120027692-A1 PYRROLOPYRIMIDINEDIONE AND ITS THERAPEUTIC USE SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 1223/4885ADRB1 1562/4885

“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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