SCHEMBL4704871

SCHEMBL4704871

C/C(=C/C(C)C)c1sccc1NC(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 3/20 0.45
MAPK8 P45983 2/20 0.45
MAPK9 P45984 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HPGD P15428 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAOB P27338 1/20 0.37

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
SCHEMBL4704868 1.00 MAPK10 (0.45) MAPK10MAPK8MAPK9HDAC1HDAC2
SCHEMBL4705137 1.00 MAPK10 (0.45) MAPK10MAPK8MAPK9HDAC1HDAC2
SCHEMBL4703791 0.80 NPC1 (0.61) MAPK10MAPK8MAPK9HPGDNPC1
SCHEMBL5634785 0.77 L3MBTL1 (0.61) MAPK10MAPK8HPGDNPC1RAB9A
SCHEMBL4702630 0.75 MAPK8 (0.47) MAPK10MAPK8MAPK9HDAC1HDAC2
SCHEMBL23315078 0.68 ALDH1A1 (0.47) ALDH1A1MAPT
SCHEMBL7457637 0.67 NPSR1 (0.50) MAPK10MAPK8HPGDNPC1SMN1; SMN2
SCHEMBL1094974 0.66 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL1094973 0.66 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL1094975 0.66 ALDH1A1 (0.33) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559714-B1 Process for the preparation of 2-alkyl-3-aminothiophene derivatives and 3-aminothiophene derivatives MITSUI CHEMICALS INC (JP) 2008-01-09 EP disclosed
EP-1036793-B1 A process for preparing 2-alkyl-3-aminothiophene derivative and 3-aminothiophene derivative MITSUI CHEMICALS INC (JP) 2005-09-07 EP disclosed
EP-1559714-A1 Process for the preparation of 2-alkyl-3-aminothiophene derivatives and 3-aminothiophene derivatives MITSUI CHEMICALS, INC. (JP) 2005-08-03 EP disclosed
US-6331639-B2 BY REACTING A 3-((ALKYL, ALKOXY, PHENYL OR HETEROARYL)CARBONYLAMINO)THIOPHENE WITH A KETONE IN THE PRESENCE OF AN ACID AND REDUCING THE REACTION MIXTURE; AGRICULTURAL FUNGICIDES MITSUI CHEMICALS, INC. (JP) 2001-12-18 US disclosed
US-6331634-B1 FUNGICIDES MITSUI CHEMICALS, INC. (JP) 2001-12-18 US disclosed
US-20010023295-A1 Process for preparing 2-alkyl-3-aminothiophene derivative and 3-aminothiophene derivative KATSUTA HIROYUKI (JP) 2001-09-20 US disclosed
US-6239282-B1 ALKYLATING THE CORRESPONDING 3-AMIDOTHIOPHENE COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-05-29 US disclosed
EP-1036793-A2 A process for preparing 2-alkyl-3-aminothiophene derivative and 3-aminothiophene derivative Mitsui Chemicals, Inc. (JP) 2000-09-20 EP 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 (1 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-20010023295-A1 Process for preparing 2-alkyl-3-aminothiophene derivative and 3-aminothiophene derivative SULT1E1, CYP4B1, CYP3A4 MAPK10 3769/4885MAPK8 4509/4885MAPK9 2790/4885

“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.