Sugi Predict

Sugi Predict / Compounds / SCHEMBL2184439

SCHEMBL2184439

SCHEMBL2184439

COc1ccc(-c2ccc3[nH]c(=O)ccc3c2)c2cc(C(F)(F)F)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ OGT O15294 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ AR P10275 5/20 0.38
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TERT O14746 1/20 0.34
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ F11 P03951 1/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL7937337 0.78 PDE3A (0.53) PDE4BPDE3AMAPTLMNAOGT
SCHEMBL2172765 0.77 PDE4B (0.53) PDE4BPDE3AMAPTLMNAOGT
SCHEMBL2171497 0.77 LMNA (0.42) MAPTLMNAOGTTP53CA12
SCHEMBL2215379 0.76 LMNA (0.45) PDE4BPDE3AMAPTLMNAOGT
SCHEMBL3124742 0.74 PDE3A (0.58) PDE4BPDE3AMAPTLMNATP53
SCHEMBL2173289 0.74 PDE4B (0.46) PDE4BPDE3AMAPTLMNAOGT
SCHEMBL2170943 0.74 PDE4B (0.53) PDE4BPDE3AMAPTLMNAOGT
SCHEMBL2170517 0.73 LMNA (0.39) PDE4BPDE3AMAPTLMNAOGT
SCHEMBL2215586 0.72 PDE3A (0.53) PDE4BPDE3AMAPTLMNAOGT
SCHEMBL2172288 0.72 GLO1 (0.43) PDE4BPDE3AMAPTLMNAOGT

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
EP-2348018-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2011-07-27 — — EP disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 — — US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 — — US disclosed
US-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-21 — — US disclosed
WO-2010035745-A1 HETEROCYCLIC BIARYL DERIVATIVE, AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2010-04-01 — — WO 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-20110178041-A1 HETEROCYCLIC BIARYL DERIVATIVE AND PDE INHIBITOR COMPRISING SAME AS ACTIVE INGREDIENT PDE3A, PDE2A, PDE3B PDE4B 6/4885PDE3A 1/4885MAPT 4548/4885

“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.