SCHEMBL2977848

SCHEMBL2977848

CCCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCCCS(=O)(=O)O)cc3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.61
MEN1 O00255 9/20 0.61
NPC1 O15118 1/20 0.61
MAPT P10636 7/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
RAB9A P51151 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
PHGDH O43175 1/20 0.46

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
SCHEMBL1726019 0.89 KMT2A (0.66) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1717615 0.88 KMT2A (0.61) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1716666 0.86 KMT2A (0.62) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1717285 0.84 KMT2A (0.60) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1716675 0.84 KMT2A (0.61) KMT2AMEN1NPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL2990013 0.83 KMT2A (0.61) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL2986124 0.83 KMT2A (0.61) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1716945 0.83 KMT2A (0.58) KMT2AMEN1NPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL2991114 0.82 KMT2A (0.57) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1717639 0.78 MAPT (0.57) KMT2AMEN1NPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777041-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-7504511-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-06-22 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 (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-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof PAH, ABAT, AADAT KMT2A 901/4885MEN1 3039/4885NPC1 302/4885
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF PAH, ABAT, AADAT KMT2A 901/4885MEN1 3039/4885NPC1 302/4885

“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.