Sugi Predict

Sugi Predict / Compounds / SCHEMBL13640332

SCHEMBL13640332

SCHEMBL13640332

COc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.59
▸ CA1 P00915 3/20 0.59
▸ CA9 Q16790 3/20 0.59
▸ CA2 P00918 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59
▸ DRD2 P14416 1/20 0.45
▸ CYP1A1 P04798 6/20 0.43
▸ CYP1B1 Q16678 6/20 0.43
▸ CYP1A2 P05177 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ USP2 O75604 1/20 0.40

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
SCHEMBL12120169 0.84 DRD2 (0.43) CA12CA1CA9CA2CA7
SCHEMBL21083328 0.84 CA12 (0.42) CA12CA1CA9CA2CA7
SCHEMBL2597426 0.84 CA12 (0.42) CA12CA1CA9CA2CA7
SCHEMBL16535794 0.83 IDO1 (0.45) CA12CA1CA9CA2CA7
SCHEMBL6049300 0.83 DRD2 (0.47) DRD2CYP1A1CYP1B1ALDH1A1MEN1
SCHEMBL4816617 0.82 DRD2 (0.45) DRD2GAA
SCHEMBL2447571 0.81 DRD2 (0.44) CA12CA1CA9CA2CA7
SCHEMBL6049222 0.81 MAOB (0.48) DRD2CYP1A1ALDH1A1MEN1MAPT
SCHEMBL3116398 0.81 DRD2 (0.47) CA12CA1CA9CA2CA7
SCHEMBL2076161 0.81 KDM4E (0.49) DRD2CYP1A2ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796668-B2 Natural product analogs including an anti-inflammatory cyanoenone pharmacore and methods of use REATA PHARMACEUTICALS, INC. (US) 2017-10-24 — — US disclosed
US-20160145200-A1 NATURAL PRODUCT ANALOGS INCLUDING AN ANTI-INFLAMMATORY CYANOENONE PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS, INC. (US) 2016-05-26 — — US disclosed
US-9233998-B2 Natural product analogs including an anti-inflammatory cyanoenone pharmacore and methods of use REATA PHARMACEUTICALS, INC. (US) 2016-01-12 — — US disclosed
US-20120283450-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS, INC. 2012-11-08 — — 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-20160145200-A1 NATURAL PRODUCT ANALOGS INCLUDING AN ANTI-INFLAMMATORY CYANOENONE PHARMACORE AND METHODS OF USE PTGES, LTB4R, LTB4R2 CA12 3449/4885CA1 3870/4885CA9 3211/4885
US-20120283450-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE PTGES, PTGS1, PTGES2 CA12 4099/4885CA1 3324/4885CA9 2664/4885

“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.