Sugi Predict

Sugi Predict / Compounds / SCHEMBL1677309

SCHEMBL1677309

SCHEMBL1677309

CS(=O)(=O)c1ccc(Oc2ccc(N)c(OCc3ccccc3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.41
▸ LTA4H P09960 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ AR P10275 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GHSR Q92847 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ MAP4K4 O95819 1/20 0.38
▸ IKBKE Q14164 1/20 0.37

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
SCHEMBL12807185 0.84 AR (0.38) CYP19A1RAB9ASMN1; SMN2NPC1AR
SCHEMBL563591 0.83 CA12 (0.48) CYP19A1RAB9ASMN1; SMN2NPC1AR
SCHEMBL1039005 0.83 CYP19A1 (0.43) CYP19A1RAB9ANPC1ARMAPT
SCHEMBL1040109 0.81 IKBKE (0.37) CYP19A1LTA4HMAPK14RAB9ASMN1; SMN2
SCHEMBL1677111 0.80 CA12 (0.42) CYP19A1RAB9ASMN1; SMN2NPC1AR
SCHEMBL647614 0.79 MAOB (0.50) LTA4HMAPK14RAB9ASMN1; SMN2GAA
SCHEMBL30058080 0.79 MAOB (0.50) LTA4HMAPK14RAB9ASMN1; SMN2GAA
SCHEMBL1677227 0.78 MMP2 (0.43) RAB9ANPC1CA12CA1CA2
SCHEMBL563560 0.77 PIK3CD (0.36) MAPT
SCHEMBL12734036 0.76 FFAR1 (0.46) LTA4HMAPK14RAB9ASMN1; SMN2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
US-8673942-B2 Fused ring compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-18 — — US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US disclosed
US-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-28 — — US disclosed
WO-2009125873-A1 FUSED RING COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-15 — — 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-20110098297-A1 FUSED RING COMPOUNDS AND USE THEREOF GCKR, GPR119, SLC5A1 CYP19A1 54/4885LTA4H 1567/4885MAPK14 469/4885

“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.