SCHEMBL387555

SCHEMBL387555

O=S(=O)(NCCO)c1ccc(B(O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
CYP2C19 P33261 2/20 0.60
PKM P14618 5/20 0.54
GAA P10253 2/20 0.54
ENPP2 Q13822 1/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NEK1 Q96PY6 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
NAMPT P43490 1/20 0.45
CYP2D6 P10635 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL7621847 0.87 ALDH1A1 (0.75) ALDH1A1CYP2C19PKMGAAKDM4E
SCHEMBL7926321 0.84 CA12 (0.62) ALDH1A1CYP2C19PKMGAAENPP2
SCHEMBL520372 0.81 CYP2C19 (0.61) ALDH1A1CYP2C19PKMGAAENPP2
SCHEMBL29953841 0.81 CYP2C19 (0.61) ALDH1A1CYP2C19PKMGAAENPP2
SCHEMBL29951493 0.81 ALDH1A1 (0.50) ALDH1A1PKMGAAENPP2KDM4E
SCHEMBL8064506 0.81 LMNA (0.55) ALDH1A1PKMGAAENPP2KDM4E
SCHEMBL606283 0.81 ALDH1A1 (0.68) ALDH1A1CYP2C19PKMGAAKDM4E
SCHEMBL7624023 0.81 ALDH1A1 (0.68) ALDH1A1CYP2C19PKMGAAKDM4E
SCHEMBL20982132 0.80 TSHR (0.65) ALDH1A1ENPP2NEK1NAMPTIKBKB
SCHEMBL385294 0.80 ALDH1A1 (0.69) ALDH1A1PKMGAAENPP2KDM4E

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103459-A1 SUBSTITUTED AZACYLES AS TRPM8 MODULATORS GIVAUDAN SA (CH) 2026-04-16 US disclosed
US-12528801-B2 Substituted azacyles as TRPM8 modulators GIVAUDAN SA (CH) 2026-01-20 US disclosed
CN-114555594-B Substituted azacycles as TRMP modulators 奇华顿股份有限公司 2025-03-18 CN disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
US-20240132487-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS GIVAUDAN SA (CH) 2024-04-25 US disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-4045491-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS Givaudan SA (CH) 2022-08-24 EP disclosed
CN-114555594-A Substituted azaheterocycles as TRMP8 modulators 奇华顿股份有限公司 2022-05-27 CN disclosed
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2021-12-30 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2010068292-A1 AZAINDOLE DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS NOVARTIS AG 2009-12-24 US disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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 (8 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-20260103459-A1 SUBSTITUTED AZACYLES AS TRPM8 MODULATORS TRPM8, TRPM7, TRPM5 ALDH1A1 1111/4885CYP2C19 2413/4885PKM 3134/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 ALDH1A1 4290/4885CYP2C19 2266/4885PKM 3131/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 ALDH1A1 4290/4885CYP2C19 2266/4885PKM 3131/4885
US-20240132487-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS TRPM8, TRPM7, TRPM5 ALDH1A1 871/4885CYP2C19 1645/4885PKM 4324/4885
US-12528801-B2 Substituted azacyles as TRPM8 modulators TRPM8, TRPM7, TRPM4 ALDH1A1 1465/4885CYP2C19 1840/4885PKM 3787/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK ALDH1A1 503/4885CYP2C19 226/4885PKM 1025/4885
US-20090318410-A1 IMIDAZOPYRIDAZINES AS LIPID KINASE INHIBITORS PI4KA, PIK3CA, PIK3CB ALDH1A1 948/4885CYP2C19 930/4885PKM 505/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ALDH1A1 1087/4885CYP2C19 1035/4885PKM 910/4885

“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.