Sugi Predict

Sugi Predict / Compounds / SCHEMBL1751063

SCHEMBL1751063

SCHEMBL1751063

COc1ccc(C(O)Cc2c(Cl)cncc2Cl)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ PDE7A Q13946 1/20 0.40
▸ BACE1 P56817 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PDE4B Q07343 2/20 0.39

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
SCHEMBL3662407 0.82 TDP2 (0.42) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL30362076 0.82 PDE4D (0.53) PDE4DSMN1; SMN2CYP3A4ATMPDE4B
SCHEMBL15753781 0.82 PDE4D (0.53) PDE4DSMN1; SMN2CYP3A4ATMPDE4B
SCHEMBL14164833 0.82 PDE4D (0.53) PDE4DSMN1; SMN2CYP3A4ATMPDE4B
SCHEMBL1616464 0.82 PDE4D (0.53) PDE4DSMN1; SMN2CYP3A4ATMPDE4B
SCHEMBL15760712 0.77 PDE4D (0.59) PDE4DMAPTPDE4BPDE4APDE4C
SCHEMBL3550785 0.77 PDE4D (0.48) PDE4DALDH1A1PDE4BTP53PDE4A
SCHEMBL6858821 0.77 PDE4D (0.45) PDE4DKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL15790498 0.75 PDE4D (0.49) PDE4DSMN1; SMN2CYP3A4ATMPDE4B
SCHEMBL16801589 0.75 PDE4D (0.49) PDE4DSMN1; SMN2CYP3A4ATMPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225205-B1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2013-01-02 — — EP disclosed
US-7968724-B2 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2011-06-28 — — US disclosed
EP-2225205-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2010-09-08 — — EP disclosed
WO-2009077068-A9 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2009-08-20 — — WO disclosed
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-07-02 — — US disclosed
WO-2009077068-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-06-25 — — WO disclosed
EP-2070913-A1 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.p.A. (IT) 2009-06-17 — — EP 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-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE5A PDE4D 5/4885ALDH1A1 579/4885MEN1 2513/4885

“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.