SCHEMBL8595377

SCHEMBL8595377

CC(C)(C)n1nnc(-c2ccccc2B(O)c2ccccc2-c2nnn(C(C)(C)C)n2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
AOC3 Q16853 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
PDK2 Q15119 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
PKM P14618 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL9257119 0.92 POLB (0.40) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL9131392 0.88 POLB (0.38) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL4888374 0.78 POLB (0.39) SMN1; SMN2POLBNPC1RAB9AL3MBTL1
SCHEMBL2564080 0.77 SMN1; SMN2 (0.37) SMN1; SMN2POLBNPC1RAB9AL3MBTL1
SCHEMBL29954781 0.77 SMN1; SMN2 (0.37) SMN1; SMN2POLBNPC1RAB9AL3MBTL1
SCHEMBL27357705 0.76 POLB (0.38) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL8596999 0.76 POLB (0.38) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL6188044 0.76 GRM5 (0.39) SMN1; SMN2POLBAOC3NPC1RAB9A
SCHEMBL4990435 0.74 SMN1; SMN2 (0.36) SMN1; SMN2POLBNPC1RAB9AL3MBTL1
SCHEMBL8788397 0.74 NPSR1 (0.55) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD

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
EP-0593332-B1 Phenylborinic acid derivatives, their preparation and their use as intermediates in syntheses SYNTHELABO (FR) 1998-01-14 EP claimed
US-5382672-A Preparation of derivatives of benzeneborinic acid SYNTHELABO (FR) 1995-01-17 US claimed
US-5278312-A Derivatives of benzeneborinic acid, preparation thereof and use thereof as synthetic intermediates SYNTHELABO (FR) 1994-01-11 US claimed
JP-6192240-A None JP disclosed
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 US disclosed
US-5382672-A Preparation of derivatives of benzeneborinic acid SYNTHELABO (FR) 1995-01-17 US disclosed
JP-H06192240-A BENZENEBORINIC ACID DERIVATIVE, PREPARATION THEREOF AND USE THEREOF AS SYNTHETIC INTERMEDIATE SYNTHELABO SA 1994-07-12 JP disclosed
US-5278312-A Derivatives of benzeneborinic acid, preparation thereof and use thereof as synthetic intermediates SYNTHELABO (FR) 1994-01-11 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 (1 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B SMN1; SMN2 1879/4885POLB 1316/4885AOC3 173/4885

“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.