Sugi Predict

Sugi Predict / Compounds / SCHEMBL2861829

SCHEMBL2861829

SCHEMBL2861829

CC(C)Oc1cc(-c2csc(Cn3cc(C(=O)O)cn3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ XPO1 O14980 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CFTR P13569 1/20 0.34
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ HDAC3 O15379 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
SCHEMBL2858899 0.92 ALDH1A1 (0.36) FFAR4KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL1198836 0.90 RXRA (0.42) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL12994887 0.89 ALDH1A1 (0.35) FFAR4KEAP1NFE2L2ALDH1A1MEN1
SCHEMBL1198794 0.88 MEN1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2858894 0.87 PPARD (0.39) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2857106 0.86 PPARD (0.38) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL12875728 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL2856885 0.84 ALDH1A1 (0.37) FFAR4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1199036 0.84 MEN1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL13650728 0.84 XPO1 (0.33) ALDH1A1L3MBTL1PPARDXPO1

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 FFAR4 1798/4885KEAP1 1548/4885NFE2L2 719/4885

“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.