Sugi Predict

Sugi Predict / Compounds / SCHEMBL5533628

SCHEMBL5533628

SCHEMBL5533628

COC(=O)Cc1cccc(-c2ccc(-c3nc(C#N)c(C)nc3C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.42
▸ HPGD P15428 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ VDR P11473 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ PPARG P37231 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
SCHEMBL5533583 0.89 CNR2 (0.40) SYKNR1H2VDRPPARDKDM4E
SCHEMBL5532391 0.89 DGAT1 (0.46) HPGDNPC1CYP11B1CYP11B2PKM
SCHEMBL13769253 0.83 SYK (0.44) SYKHPGDNPC1CYP11B1CYP11B2
SCHEMBL5535918 0.81 PLAU (0.50) DHODHMAPK1
SCHEMBL2255451 0.75 MYC (0.47) HPGDNPC1PKMNFKB1RAB9A
SCHEMBL1929079 0.74 SLC7A5 (0.57) SYKHPGDNPC1PKMNFKB1
SCHEMBL5531200 0.74 CHEK1 (0.54) NR1H2THRBKDM4EALDH1A1
SCHEMBL13433607 0.73 HSP90AB1 (0.53) SYKHPGDNPC1CYP11B1CYP11B2
SCHEMBL14759025 0.73 CYP11B1 (0.54) SYKHPGDNPC1CYP11B1CYP11B2
SCHEMBL3357160 0.73 SLC7A5 (0.56) SYKHPGDNPC1PKMNFKB1

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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 — — US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 — — US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 — — US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 — — US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 — — US 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 SYK 4756/4885HPGD 4144/4885NPC1 174/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 SYK 4764/4885HPGD 4105/4885NPC1 172/4885

“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.