SCHEMBL7799474

SCHEMBL7799474

CC(C)OC(=O)c1ccsc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
GLA P06280 1/20 0.46
CA12 O43570 4/20 0.45
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
CA14 Q9ULX7 4/20 0.45
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL158525 0.80 CA12 (0.46) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL190088 0.79 KMT2A (0.59) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL16264464 0.79 KMT2A (0.46) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL3044354 0.77
SCHEMBL27899866 0.76 MEN1 (0.59) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL225275 0.75 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL27998679 0.75 MAPK8 (0.48) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL4144275 0.75 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL27780484 0.74 KMT2A (0.62) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL17147852 0.74 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 322/4885MEN1 1390/4885KMT2A 370/4885

“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.