SCHEMBL320863

SCHEMBL320863

N=C(NO)c1ccc(CO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
HDAC6 Q9UBN7 4/20 0.40
HDAC1 Q13547 4/20 0.40
TSHR P16473 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC3 O15379 2/20 0.36
NCOR2 Q9Y618 1/20 0.36
EPHX2 P34913 1/20 0.36
F10 P00742 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
VHL P40337 1/20 0.34
ELOC Q15369 1/20 0.34

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
SCHEMBL319145 0.83 CA2 (0.46) PRSS1PRSS2PRSS3HDAC6HDAC1
SCHEMBL12348299 0.83 HSD17B10 (0.36) PRSS1PRSS2PRSS3HDAC6HDAC1
SCHEMBL18105627 0.80 HDAC6 (0.35) PRSS1PRSS2PRSS3HDAC6HDAC1
SCHEMBL5154706 0.80 LOXL2 (0.59) PRSS1PRSS2PRSS3HDAC6PLG
Hydrochloric Acid SCHEMBL6743128 0.78 LOXL2 (0.57) PRSS1PRSS2PRSS3HDAC6PLG
Hydrochloric Acid SCHEMBL18300491 0.78 LOXL2 (0.57) PRSS1PRSS2PRSS3HDAC6PLG
SCHEMBL14472965 0.77 PLK1 (0.52) HDAC1
SCHEMBL2065001 0.77 ALDH1A1 (0.42) PRSS1PRSS2PRSS3HDAC6HDAC1
SCHEMBL320097 0.75 PRSS1 (0.61) PRSS1PRSS2PRSS3HDAC6HDAC1
SCHEMBL2323289 0.75 CHRM1 (0.50) TSHRHPGDSMN1; SMN2ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US claimed
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-04-10 US claimed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 EP claimed
US-12606548-B2 Fungicidal oxadiazoles FMC CORPORATION (US) 2026-04-21 US disclosed
US-20240166638-A1 FUNGICIDAL OXADIAZOLES FMC CORP (US) 2024-05-23 US disclosed
CN-118047729-A Fungicidal oxadiazoles FMC公司 2024-05-17 CN disclosed
CN-118047771-A Fungicidal oxadiazoles FMC公司 2024-05-17 CN disclosed
EP-4361150-A2 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC Corporation (US) 2024-05-01 EP disclosed
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION 2024-03-21 US disclosed
CN-110650956-B Fungicidal oxadiazoles FMC公司 2024-03-08 CN disclosed
EP-4262396-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION (US) 2023-10-25 EP disclosed
WO-2007132307-A1 CYCLOALKYLAMINO ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP disclosed
US-7199142-B2 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. (US) 2007-04-03 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO disclosed
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists MERCK & CO., INC. 2005-11-03 US disclosed
EP-1549640-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS Merck & Co., Inc. (US) 2005-07-06 EP disclosed
WO-2004035538-A1 PROCESS FOR MAKING AZETIDINE-3-CARBOXYLIC ACID MERCK & CO., INC. (US) 2004-04-29 WO disclosed
WO-2003105771-A2 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)AZETIDINE-3-CARBOXYLATES AND 1-((5-ARYL-1,2,4-OXADIAZOL-3-YL)BENZYL)PYRROLIDINE-3-CARBOXYLATES AS EDG RECEPTOR AGONISTS MERCK & CO., INC. (US) 2003-12-24 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 (5 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-20240166638-A1 FUNGICIDAL OXADIAZOLES OXA1L, NOX1, TH PRSS1 4316/4885PRSS2 4653/4885PRSS3 4378/4885
US-12606548-B2 Fungicidal oxadiazoles AOC2, AOC3, MT-CO3 PRSS1 4678/4885PRSS2 3999/4885PRSS3 3891/4885
US-20050245575-A1 1-((5-aryl-1,2,4-oxadiazol-3-yl) benzyl)azetidine-3-carboxylates and 1-((5-aryl-1,2,4-oxadiazol-3-yl)benzyl) pyrrolidine-3-carboxylates as edg receptor agonists EDNRA, OXGR1, EDNRB PRSS1 3642/4885PRSS2 4606/4885PRSS3 4016/4885
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES NOX1, TH, NOX3 PRSS1 4499/4885PRSS2 4605/4885PRSS3 4234/4885
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 PRSS1 2391/4885PRSS2 4439/4885PRSS3 4493/4885

“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.