Sugi Predict

Sugi Predict / Compounds / SCHEMBL2860124

SCHEMBL2860124

SCHEMBL2860124

Cc1sc(-c2cc(OC(C)C)cc(C(F)(F)F)c2)nc1Cn1cc(C(=O)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.39
▸ XPO1 O14980 2/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ PPARA Q07869 2/20 0.34
▸ PPARG P37231 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ PPARD Q03181 2/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SOS1 Q07889 1/20 0.33
▸ ACHE P22303 1/20 0.32

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
SCHEMBL2859056 0.93 PPARA (0.33) FFAR4XPO1S1PR1PPARAPPARG
SCHEMBL2859879 0.87 PPARG (0.39) XPO1PPARAPPARGPPARDALDH1A1
SCHEMBL2860240 0.86 PPARG (0.38) XPO1PPARAPPARGNR1H4KLKB1
SCHEMBL2857003 0.86 EGLN1 (0.38) PPARAPPARGKLKB1CTSSEGLN1
SCHEMBL1198731 0.86 RXRA (0.37) PPARAPPARGNR1H4ALDH1A1SMN1; SMN2
SCHEMBL1198548 0.86 EGLN1 (0.39) S1PR1NR1H4S1PR3ALDH1A1SMN1; SMN2
SCHEMBL2859204 0.85 ALKBH1 (0.41) PPARAPPARGPPARDKLKB1CTSS
SCHEMBL1199073 0.85 EGLN1 (0.38) NR1H4ALDH1A1SMN1; SMN2KLKB1RXRA
SCHEMBL12876719 0.84 ALKBH1 (0.44) PPARAPPARGPPARDKLKB1RXRA
SCHEMBL2857069 0.84 PPARG (0.43) PPARAPPARGPPARDCTSS

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 1798/4885XPO1 3109/4885S1PR1 2579/4885

“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.