Sugi Predict

Sugi Predict / Compounds / SCHEMBL2859540

SCHEMBL2859540

SCHEMBL2859540

O=C(O)c1cnn(Cc2nc(-c3cc(OCC4CC4)cc(C(F)(F)F)c3)cs2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ P2RX3 P56373 2/20 0.33
▸ P2RX2 Q9UBL9 2/20 0.33
▸ CFTR P13569 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 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
SCHEMBL2856885 0.87 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EFFAR4
SCHEMBL2858894 0.86 PPARD (0.39) ALDH1A1MEN1KMT2AKDM4EPPARD
SCHEMBL1198836 0.86 RXRA (0.42) ALDH1A1MEN1KMT2AKDM4EPPARD
SCHEMBL2857106 0.86 PPARD (0.38) ALDH1A1MEN1KMT2AKDM4EPPARD
SCHEMBL1198794 0.86 MEN1 (0.45) ALDH1A1MEN1KMT2AKDM4EPPARD
SCHEMBL2860292 0.85 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPPARD
SCHEMBL1198994 0.84 NR1H4 (0.46) FFAR4PPARDKDM5AKDM2BKDM4C
SCHEMBL2861829 0.84 FFAR4 (0.40) ALDH1A1MEN1KMT2AKDM4EFFAR4
SCHEMBL2861490 0.84 ALKBH1 (0.44) ALDH1A1MEN1KMT2AKDM4EPPARD
SCHEMBL2868652 0.84 ALKBH1 (0.45) ALDH1A1MEN1KMT2AKDM4EPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 — — 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A RBP4 3938/4885ALDH1A1 1037/4885MEN1 2661/4885

“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.