SCHEMBL20214286

SCHEMBL20214286

CC(=O)Oc1ccccc1C(=O)NOCc1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGS2 P35354 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44

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
SCHEMBL20214711 0.78 NPC1 (0.45) RAB9ANPC1ATML3MBTL1KDM4E
SCHEMBL12468767 0.74 CTSD (0.69) RAB9ANPC1KDM4EHSD17B10HPGD
SCHEMBL6536150 0.73 RAB9A (0.73) RAB9ANPC1
SCHEMBL13527518 0.72 HSD17B10 (0.62) RAB9ANPC1KDM4EHSD17B10HPGD
SCHEMBL20214224 0.72 MAOB (0.58) RAB9ANPC1L3MBTL1KDM4EALDH1A1
SCHEMBL20214231 0.69 RAB9A (0.71) RAB9ANPC1L3MBTL1KMT2AALDH1A1
SCHEMBL17339636 0.69 HPGD (0.74) RAB9AATML3MBTL1KDM4EHPGD
SCHEMBL20214331 0.69 RAB9A (0.51) RAB9ANPC1HPGDALDH1A1TSHR
SCHEMBL20214216 0.69 HDAC3 (0.64) RAB9ANPC1ATML3MBTL1MEN1
SCHEMBL5302217 0.69 KDM4E (0.65) RAB9ANPC1KDM4EHSD17B10HPGD

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-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA 2020-06-11 US claimed
WO-2018102261-A2 BORONIC DERIVATIVES HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA (US) 2018-06-07 WO claimed
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents XAVIER UNIVERSITY OF LOUISIANA (US) 2021-06-29 US disclosed
US-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA 2020-06-11 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 (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-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS BCOR, BRDT, HDAC1 RAB9A 3029/4885NPC1 801/4885ATM 1129/4885
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents BCOR, BRDT, HDAC1 RAB9A 3029/4885NPC1 801/4885ATM 1129/4885

“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.