SCHEMBL4703791

SCHEMBL4703791

COC(=O)c1sccc1NC(=O)OC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
RAB9A P51151 1/20 0.59
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK10 P53779 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
PKM P14618 1/20 0.55
ATM Q13315 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 2/20 0.53

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
SCHEMBL4704871 0.80 MAPK10 (0.45) NPC1L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL4705137 0.80 MAPK10 (0.45) NPC1L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL4704868 0.80 MAPK10 (0.45) NPC1L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL4702630 0.79 MAPK8 (0.47) NPC1L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL1367369 0.79 NPC1 (0.71) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL2106155 0.79 NPC1 (0.66) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL2802258 0.79 HPGD (0.62) NPC1L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL28330280 0.79 NPC1 (0.61) NPC1L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL995011 0.78 NPC1 (0.69) NPC1L3MBTL1HPGDSMN1; SMN2MAPK10
SCHEMBL2430838 0.78 NPC1 (0.59) NPC1L3MBTL1RAB9AHPGDSMN1; SMN2

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-6331634-B1 FUNGICIDES MITSUI CHEMICALS, INC. (JP) 2001-12-18 US 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-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 NPC1 4230/4885L3MBTL1 3121/4885RAB9A 1046/4885

“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.