SCHEMBL3098299

SCHEMBL3098299

CCCC(C)C(O)C[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CPA1 P15085 1/20 0.37
METAP1 P53582 1/20 0.35
TSHR P16473 4/20 0.35
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL11873270 0.85 CPA1 (0.38) ALDH1A1CPA1TSHRTDP1LMNA
SCHEMBL3789231 0.77 CPA1 (0.52) ALDH1A1CPA1TSHRTDP1
SCHEMBL8905407 0.76 ALDH1A1 (0.40) ALDH1A1CPA1TSHRCYP3A4LMNA
SCHEMBL2460939 0.76
SCHEMBL18095943 0.75
SCHEMBL17151671 0.75
SCHEMBL11045266 0.74 ALDH1A1 (0.41) ALDH1A1CPA1TSHRTDP1LMNA
SCHEMBL17318330 0.73
SCHEMBL15178185 0.71 LMNA (0.46) METAP1TSHRCYP3A4NFKB1NPSR1
SCHEMBL31509452 0.71 LMNA (0.46) METAP1TSHRCYP3A4NFKB1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 US disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 US disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 US disclosed
US-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2010-10-07 US disclosed
US-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2010-10-07 US disclosed
EP-2188296-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS The United States Of America, As Represented By The Secretary, Department Of Health And Human Services (US) 2010-05-26 EP disclosed
WO-2009029844-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-05 WO disclosed
WO-2009029844-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-05 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 (2 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-20100256098-A1 COMPOUNDS FOR INHIBITING WIP1, PRODRUGS AND COMPOSITIONS THEREOF, AND RELATED METHODS WAPL, WDR1, DUSP1 ALDH1A1 1064/4885CPA1 1626/4885METAP1 402/4885
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE CBR3, CYP2E1, SULT2A1 ALDH1A1 201/4885CPA1 3923/4885METAP1 1087/4885

“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.