SCHEMBL559758

SCHEMBL559758

COC(=O)c1ccc(Cl)c(B(O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
XDH P47989 1/20 0.50
TSHR P16473 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL29956528 1.00 ALDH1A1 (0.57) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL516419 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL29490676 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL2041824 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL14150336 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL29957460 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL29822834 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL5393044 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1CA1CA2CA12
SCHEMBL2417938 0.80 TDP1 (0.52) ALDH1A1CA1CA2CA12CA7
SCHEMBL29587663 0.80 TDP1 (0.52) ALDH1A1CA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206724-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-06-26 US disclosed
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PROMIDIS S.R.L. (IT) 2024-04-04 US disclosed
EP-4288431-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2023-12-13 EP disclosed
WO-2023186773-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-10-05 WO disclosed
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-01-24 US disclosed
WO-2022167682-A1 AZABICYCLIC SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-08-11 WO disclosed
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2021-04-01 US disclosed
WO-2020247160-A1 CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-10 WO disclosed
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-01 US disclosed
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED. 2020-11-19 US disclosed
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-10-31 US disclosed
US-10329303-B2 Heterocyclic inhibitors of monocarboxylate transporter THE SCRIPPS RESEARCH INSTITUTE (US) 2019-06-25 US disclosed
US-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-01-04 US disclosed
EP-3247360-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS The Scripps Research Institute (US) 2017-11-29 EP disclosed
WO-2016118825-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-07-28 WO disclosed
US-8344028-B2 Gamma-amino-butyric acid derivatives as GABAB receptor ligands XENOPORT, INC. (US) 2013-01-01 US disclosed
EP-2419401-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAb RECEPTOR LIGANDS XenoPort, Inc. (US) 2012-02-22 EP disclosed
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2012-02-09 US disclosed
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. 2010-10-21 US disclosed
WO-2010120370-A2 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS XENOPORT, INC. (US) 2010-10-21 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 (11 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-20180002343-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 ALDH1A1 742/4885L3MBTL1 3736/4885CA1 1328/4885
US-20240109900-A1 AZABICYCLIC SHP2 INHIBITORS PTPN22, PTPN2, PTPN5 ALDH1A1 3046/4885L3MBTL1 3345/4885CA1 3093/4885
US-20250206724-A1 SUBSTITUTED 3-AMINO INDAZOLE DERIVATIVES AS KINASE INHIBITORS CDK1, CDK11A, CDK3 ALDH1A1 4385/4885L3MBTL1 1999/4885CA1 4435/4885
US-20100267676-A1 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 ALDH1A1 1314/4885L3MBTL1 3363/4885CA1 790/4885
US-10851113-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 ALDH1A1 353/4885L3MBTL1 4360/4885CA1 879/4885
US-20210094969-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 ALDH1A1 402/4885L3MBTL1 4163/4885CA1 847/4885
US-11560389-B2 Heterocyclic inhibitors of monocarboxylate transporters SLC16A1, SLC16A3, SLC16A7 ALDH1A1 402/4885L3MBTL1 4163/4885CA1 847/4885
US-20190330228-A1 HETEROCYCLIC INHIBITORS OF MONOCARBOXYLATE TRANSPORTERS SLC16A1, SLC16A3, SLC16A7 ALDH1A1 742/4885L3MBTL1 3736/4885CA1 1328/4885
US-10329303-B2 Heterocyclic inhibitors of monocarboxylate transporter SLC16A1, SLC16A3, SLC16A7 ALDH1A1 651/4885L3MBTL1 3695/4885CA1 1284/4885
US-20200361939-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 ALDH1A1 477/4885L3MBTL1 3030/4885CA1 2768/4885
US-20120035139-A9 GAMMA-AMINO-BUTYRIC ACID DERIVATIVES AS GABAB RECEPTOR LIGANDS GABRB2, GABRB1, GABRB3 ALDH1A1 1314/4885L3MBTL1 3363/4885CA1 790/4885

“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.