SCHEMBL15513489

SCHEMBL15513489

CC(=O)N(Br)c1ccccc1B(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ ENPP2 Q13822 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSPO P30536 1/20 0.34
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.31
▸ ORAI1 Q96D31 1/20 0.31
▸ ORAI2 Q96SN7 1/20 0.31
▸ ORAI3 Q9BRQ5 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31

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
SCHEMBL1939814 0.83 GAA (0.46) GAAALDH1A1TP53MAPTTSHR
SCHEMBL29276277 0.78 TSPO (0.50) GAAENPP2ALDH1A1TP53MAPT
SCHEMBL4771853 0.74 GAA (0.39) GAAALDH1A1TP53MAPTTSHR
SCHEMBL11083920 0.74 GAA (0.39) GAAALDH1A1TP53MAPTTSHR
SCHEMBL9360259 0.73 ALDH1A1 (0.48) GAAALDH1A1TP53MAPTTSHR
SCHEMBL13299608 0.72 TSHR (0.45) GAAENPP2ALDH1A1TP53MAPT
SCHEMBL27380444 0.72 GABRA1 (0.41) GAATSHRSMN1; SMN2TSPOLMNA
SCHEMBL28317409 0.72 SIGMAR1 (0.50) GAAALDH1A1MAPTCA4CA7
SCHEMBL29589969 0.70 MAPT (0.46) GAAENPP2ALDH1A1TP53MAPT
SCHEMBL27870 0.70 MAPT (0.46) GAAENPP2ALDH1A1TP53MAPT

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-8877980-B2 Phenylboronic acid Al-Urdonia Lemudaddat Al-Ajsam Co. (JO) 2014-11-04 — — US claimed
US-20140073603-A1 Phenylboronic Acid Al-Urdonia Lemudaddat Al-Ajsam Co. (JO) 2014-03-13 — — US claimed
US-8877980-B2 Phenylboronic acid Al-Urdonia Lemudaddat Al-Ajsam Co. (JO) 2014-11-04 — — US disclosed
US-20140073603-A1 Phenylboronic Acid Al-Urdonia Lemudaddat Al-Ajsam Co. (JO) 2014-03-13 — — 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-20140073603-A1 Phenylboronic Acid NFKBIA, IL6, NFKB1 GAA 420/4885ENPP2 716/4885ALDH1A1 448/4885

“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.

Send feedback