Sugi Predict

Sugi Predict / Compounds / SCHEMBL566083

SCHEMBL566083

SCHEMBL566083

CC(=O)OC(C)Oc1ncccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.40
▸ SSTR4 P31391 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ HCRTR1 O43613 2/20 0.36
▸ HCRTR2 O43614 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ PANK3 Q9H999 1/20 0.35
▸ PLCG1 P19174 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL1148055 0.79 ALDH1A1 (0.43) ELANESSTR4ALDH1A1HPGDSMN1; SMN2
SCHEMBL365308 0.79 HPGD (0.45) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL30587832 0.79 HPGD (0.45) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1291219 0.78 ELANE (0.44) ELANESSTR4ALDH1A1HPGDHCRTR2
SCHEMBL566085 0.73 KDM4E (0.44) ELANESSTR4ALDH1A1HCRTR2KDM4E
SCHEMBL8776815 0.72 ALDH1A1 (0.54) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL21246204 0.72 TRPV4 (0.49) SSTR4ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL30283156 0.72 TRPV4 (0.49) SSTR4ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL564719 0.70 GRM5 (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL29530525 0.70 GRM5 (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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-9499570-B2 Boron containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, LLC 2015-12-31 — — US disclosed
US-9145429-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-20140200198-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-07-17 — — US disclosed
US-8716478-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-06 — — US disclosed
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-02-09 — — 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 (3 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-20140200198-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ELANE 59/4885SSTR4 1822/4885ALDH1A1 3735/4885
US-20120035132-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ELANE 59/4885SSTR4 1822/4885ALDH1A1 3735/4885
US-20150376210-A1 BORON-CONTAINING SMALL MOLECULES BTD, BCL6B, BBOX1 ELANE 59/4885SSTR4 1822/4885ALDH1A1 3735/4885

“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.