Sugi Predict

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SCHEMBL177174

SCHEMBL177174

CC(C)(C)OC(=O)n1nc(C(F)(F)F)c2ccc(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 1/20 0.39
▸ ELANE P08246 5/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ CYP19A1 P11511 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ TACR1 P25103 1/20 0.30
▸ RORC P51449 1/20 0.30

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
SCHEMBL177258 0.89 ELANE (0.35) ELANECYP11B2CYP19A1CYP2C9CYP11B1
SCHEMBL257418 0.87 RORC (0.34) MAP2K4PSEN1PSEN2APH1BNCSTN
SCHEMBL3339531 0.87 MAP2K4 (0.34) MAP2K4PSEN1PSEN2APH1BNCSTN
SCHEMBL2239597 0.85 MAP2K4 (0.35) MAP2K4PSEN1PSEN2APH1BNCSTN
SCHEMBL2238954 0.85 SLC22A12 (0.35) MAP2K4ELANEPSEN1PSEN2APH1B
SCHEMBL3337649 0.83 HPGD (0.35) MAP2K4CYP11B2
SCHEMBL3340167 0.82 HPGD (0.34) MAP2K4CYP11B2
SCHEMBL12355629 0.79 CYP11B2 (0.34) CYP11B2CYP19A1CYP2C9CYP11B1
SCHEMBL176821 0.78 MAP2K4 (0.43) MAP2K4ELANECYP11B2CYP19A1CYP2C9
SCHEMBL12090194 0.78 ELANE (0.44) MAP2K4ELANECYP11B2CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 — — US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 — — US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 — — EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 — — US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 — — US disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 — — EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 — — US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 — — US disclosed
WO-2010041569-A1 INDAZOLE COMPOUND 旭化成ファーマ株式会社 (JP) 2010-04-15 — — 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 (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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 MAP2K4 3474/4885ELANE 1921/4885CYP11B2 42/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A MAP2K4 3268/4885ELANE 1230/4885CYP11B2 46/4885

“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.