SCHEMBL2864022

SCHEMBL2864022

O=C(O)NCC1CCCO1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
USP2 O75604 1/20 0.66
HPGD P15428 5/20 0.64
TP53 P04637 1/20 0.64
ALOX12 P18054 1/20 0.64
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL4420466 1.00 SMN1; SMN2 (0.66) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL4429350 1.00 SMN1; SMN2 (0.66) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL24575950 0.86 HPGD (0.72) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6061649 0.84 SMN1; SMN2 (0.66) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL25739943 0.83 SMN1; SMN2 (0.70) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL18231584 0.82 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL6293470 0.82 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL4812101 0.82 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL7979841 0.82 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL10341245 0.82 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895482-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP claimed
US-9315475-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-04-19 US claimed
EP-2895482-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-07-22 EP claimed
US-20140200197-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-07-17 US claimed
WO-2014043019-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-03-20 WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
WO-2023220737-A2 OLIGONUCLEOTIDES HAVING A SYNTHETIC BACKBONE AND SYNTHESIS THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-11-16 WO disclosed
EP-3861000-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE Genzyme Corporation (US) 2021-08-11 EP disclosed
CN-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed
WO-2020072504-A1 THIENO[3,2-B]PYRIDINE DERIVATIVES AS UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION (US) 2020-04-09 WO disclosed
US-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE GENZYME CORPORATION 2020-04-02 US disclosed
EP-2593079-B1 MENTHYL CARBAMATE COMPOUNDS AS SKIN AND/OR HAIR LIGHTENING ACTIVES SYMRISE AG (DE) 2016-11-16 EP disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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 (3 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-20200102324-A1 UDP GLYCOSYLTRANSFERASE INHIBITORS AND METHODS OF USE MAN2B1, GAA, GBA1 SMN1; SMN2 552/4885USP2 1195/4885HPGD 452/4885
US-20140200197-A1 HIV PROTEASE INHIBITORS SERPINB1, PREP, PRSS1 SMN1; SMN2 4419/4885USP2 1020/4885HPGD 445/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE SMN1; SMN2 3350/4885USP2 516/4885HPGD 1645/4885

“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.