Sugi Predict

Sugi Predict / Compounds / SCHEMBL720291

SCHEMBL720291

SCHEMBL720291

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCC2)oc2c(F)cc(F)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 6/20 0.36
▸ TEAD4 Q15561 1/20 0.34
▸ PIK3CD O00329 4/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ PIK3CG P48736 4/20 0.33
▸ NAMPT P43490 2/20 0.32
▸ SLC6A9 P48067 2/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ GCG P01275 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL721589 0.99 PIK3CB (0.35) PIK3CBTEAD4PIK3CDPIK3CAPIK3CG
SCHEMBL718115 0.91 PIK3CB (0.35) PIK3CBTEAD4PIK3CDPIK3CAPIK3CG
SCHEMBL718724 0.88 NPC1 (0.42) PIK3CBTEAD4NAMPTGCGPTGDR2
SCHEMBL720374 0.88 GCG (0.40) SLC6A9GCGTDP1
SCHEMBL719224 0.87 NPC1 (0.44) PIK3CBTEAD4NAMPTGCGPTGDR2
SCHEMBL721071 0.85 GCG (0.44) GCG
SCHEMBL3403389 0.85 NPC1 (0.36) PIK3CBTEAD4NAMPTSLC6A9GCG
SCHEMBL720639 0.82 TEAD4 (0.37) TEAD4HDAC6NPC1RAB9A
SCHEMBL716552 0.81 NPC1 (0.40) TEAD4HDAC6NPC1RAB9A
SCHEMBL3399101 0.81 TEAD4 (0.36) TEAD4ITGB3ITGA2BGCGMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 — — 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PIK3CB 3850/4885TEAD4 253/4885PIK3CD 4071/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PIK3CB 3850/4885TEAD4 253/4885PIK3CD 4071/4885

“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.