Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073852

SCHEMBL10073852

SCHEMBL10073852

CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ LPAR1 Q92633 1/20 0.38

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
SCHEMBL3438875 0.92 TDP1 (0.39) TSHRTDP1HPGDGAAALDH1A1
SCHEMBL10046433 0.83 MDM4 (0.58) HPGDGAAALDH1A1MDM4TP53
SCHEMBL15120767 0.81 TSHR (0.47) TSHRTDP1HPGDGAAALDH1A1
SCHEMBL14653010 0.77 KDM4E (0.46) TSHRTDP1HPGDGAAALDH1A1
SCHEMBL11330877 0.77 NPC1 (0.56) TSHRTDP1HPGDGAAALDH1A1
SCHEMBL14948982 0.75 GAA (0.69) GAAALDH1A1KDM4EHTTKMT2A
SCHEMBL3438879 0.75 CETP (0.50) GAAALDH1A1MDM4TP53KMT2A
SCHEMBL10046434 0.73 SMN1; SMN2 (0.58) TSHRHPGDGAAALDH1A1KDM4E
SCHEMBL3438878 0.72 CETP (0.58) TSHRALDH1A1TP53KDM4EKMT2A
SCHEMBL11744038 0.71 HTT (0.51) GAAALDH1A1HTTKMT2AL3MBTL1

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-20130184456-A1 HETEROCYCLIC MACROCYCLE TEMPLATED METAL-ORGANIC MATERIALS UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-18 — — US disclosed
US-20130030170-A1 ENANTIOSELECTIVE CYCLOPROPENATION OF ALKYNES UNIVERSITY OF SOUTH FLORIDA (US) 2013-01-31 — — US disclosed
US-20130023403-A1 METAL ORGANIC MATERIALS AS BIOMIMETIC ENZYMES UNIVERSITY OF SOUTH FLORIDA (US) 2013-01-24 — — US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 — — US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 — — US disclosed
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 — — 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 (4 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA TSHR 4532/4885TDP1 1315/4885HPGD 576/4885
US-20130030170-A1 ENANTIOSELECTIVE CYCLOPROPENATION OF ALKYNES CYCS, CBR3, HCCS TSHR 4072/4885TDP1 3948/4885HPGD 1265/4885
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 TSHR 2842/4885TDP1 2767/4885HPGD 1140/4885
US-20130184456-A1 HETEROCYCLIC MACROCYCLE TEMPLATED METAL-ORGANIC MATERIALS ORC3, MCM4, MCM7 TSHR 3432/4885TDP1 4695/4885HPGD 837/4885

“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.