SCHEMBL738198

SCHEMBL738198

CC(C)C(=O)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 1/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45

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
SCHEMBL13912231 0.98 SMN1; SMN2 (0.58) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL4546660 0.92 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
Fumaric Acid SCHEMBL2868406 0.88 SMN1; SMN2 (0.44) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL1106494 0.86 SMN1; SMN2 (0.46) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL15216104 0.84 HSD17B10 (0.48) SMN1; SMN2CYP3A4CYP2C19GAATSHR
SCHEMBL762984 0.84 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL2115037 0.84 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL5778346 0.84 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL3054776 0.84 SMN1; SMN2 (0.52) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL1911518 0.82 ALOX15 (0.66) SMN1; SMN2CYP3A4CYP2C19GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN claimed
US-8888886-B1 NBPT solutions for preparing urease inhibited urea fertilizers prepared from N-substituted morpholines WHITEHURST ASSOCIATES, INC. 2014-11-18 US claimed
US-8785443-B2 Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof XENOPORT, INC. (US) 2014-07-22 US claimed
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof XENOPORT, INC. (US) 2014-02-27 US claimed
WO-2014031901-A1 METHODS OF USE FOR MONOMETHYL FUMARATE AND PRODRUGS THEREOF XENOPORT, INC. (US) 2014-02-27 WO claimed
WO-2010022177-A2 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 WO claimed
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2010-02-25 US claimed
US-6906112-B1 Radiation-curable, cyanoacrylate-containing compositions HENKEL CORPORATION (US) 2005-06-14 US claimed
US-6726795-B1 COMPOSITION COMPRISING 2-CYANOACRYLATE MONOMER, METALLOCENE, PHOTOINITIATOR, SULFUR-CONTAINING COMPOUND, AND POLYMETHYL METHACRYLATE Henkel IP & Holding GmbH (DE) 2004-04-27 US claimed
US-20240246984-A1 HETEROCYCLIC JAK INHIBITOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2024-07-25 US disclosed
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2024-07-18 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12037344-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20010025052-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same HRABIE JOSEPH A (US) 2001-09-27 US disclosed
US-6232336-B1 HYPOTENSIVE AGENTS; NEUROTRANSMISSION; CYTOTOXICITY THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-05-15 US disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
EP-1000023-A2 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, represented by THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2000-05-17 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 WO disclosed
WO-1999001427-A2 NOVEL NITRIC OXIDE-RELEASING AMIDINE- AND ENAMINE-DERIVED DIAZENIUMDIOLATES, COMPOSITIONS AND USES THEREOF AND METHOD OF MAKING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH (US) 1999-01-14 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 (7 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 SMN1; SMN2 1811/4885PKM 2115/4885CYP3A4 4464/4885
US-12037344-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD SMN1; SMN2 4781/4885PKM 1495/4885CYP3A4 562/4885
US-20140057918-A1 Methods of Use for Monomethyl Fumarate and Prodrugs Thereof FH, FAH, DHFR SMN1; SMN2 2493/4885PKM 384/4885CYP3A4 492/4885
US-20240240229-A1 METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS GSTM1, GSTM2, GSTA1 SMN1; SMN2 1538/4885PKM 679/4885CYP3A4 179/4885
US-20240246984-A1 HETEROCYCLIC JAK INHIBITOR JAK2, JAK1, JAK3 SMN1; SMN2 3234/4885PKM 1076/4885CYP3A4 1791/4885
US-20100048651-A1 PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, MGMT, BHMT2 SMN1; SMN2 2353/4885PKM 964/4885CYP3A4 78/4885
US-20010025052-A1 Novel nitric oxide-releasing amidine- and enamine-derived diazeniumdiolates, compositions and uses thereof and method of making same NOS2, NOS1, NOS3 SMN1; SMN2 1749/4885PKM 933/4885CYP3A4 669/4885

“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.