SCHEMBL9937799

SCHEMBL9937799

O=C(O)c1cc(F)ccc1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.55
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TTR P02766 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
DHFR P00374 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ALB P02768 1/20 0.44
HMGB1 P09429 1/20 0.44
CXCL12 P48061 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC22A6 Q4U2R8 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
SCHEMBL9938748 0.84 KEAP1 (0.50) KEAP1CES2CES1KDM4EALDH1A1
SCHEMBL29955424 0.82 PARP1 (0.46) KEAP1CES2CES1LMNA
SCHEMBL29920551 0.79 SLC6A4 (0.50) CES2CES1KDM4EALDH1A1HPGD
SCHEMBL458104 0.79 SLC6A4 (0.50) CES2CES1KDM4EALDH1A1HPGD
Boric Acid SCHEMBL29160824 0.79 KEAP1 (0.59) KEAP1CES2CES1KDM4EALDH1A1
SCHEMBL22190040 0.79 KEAP1 (0.63) KEAP1CES2CES1KDM4EALDH1A1
SCHEMBL2352988 0.78 CSNK2A1 (0.59) KDM4EALDH1A1TTRMEN1CA1
SCHEMBL9937971 0.78 ALDH1A1 (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL336978 0.76 KEAP1 (0.65) KEAP1CES2CES1KDM4EALDH1A1
SCHEMBL30520290 0.76 KEAP1 (0.65) KEAP1CES2CES1KDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN claimed
EP-4588921-A1 FREE BASE CRYSTAL FORM OF POLYCYCLIC COMPOUND OF NITROGEN-CONTAINING HETEROCYCLE, AND PREPARATION METHOD THEREFOR Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2025-07-23 EP disclosed
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-27 US disclosed
EP-4310089-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-01-24 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN disclosed
CN-105473550-B IDO inhibitors 百时美施贵宝公司 2019-02-15 CN disclosed
CN-105473550-A Ido inhibitors BRISTOL MYERS SQUIBB CO 2016-04-06 CN disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO 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-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 KEAP1 1892/4885CES2 4843/4885CES1 4424/4885
US-20240208981-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HCRTR1, HCRTR2, CCKBR KEAP1 1172/4885CES2 3097/4885CES1 2029/4885

“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.