SCHEMBL313488

SCHEMBL313488

CCOC(=O)C(F)C(O)(c1ccccc1)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 4/20 0.42
MMP8 P22894 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 2/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL27690656 0.82 PIN1 (0.47) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL29063141 0.78 ALDH1A1 (0.38) KMT2AALDH1A1NPSR1TSHR
SCHEMBL28882448 0.74 PIN1 (0.49) PIN1MEN1KMT2ANPC1SMN1; SMN2
Water SCHEMBL10386161 0.73 ALDH1A1 (0.35) KMT2AALDH1A1NPSR1TSHR
SCHEMBL6562845 0.72 PIN1 (0.47) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6561186 0.72 PIN1 (0.47) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL12264169 0.71 MEN1 (0.53) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28360178 0.71 POLB (0.47) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL7207416 0.70 PIN1 (0.49) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6779283 0.70 PIN1 (0.49) PIN1MEN1KMT2ANPC1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
EP-1471056-B1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-07-11 EP disclosed
US-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8093403-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-10 US disclosed
EP-2275411-A2 Reformatsky Reagent in Stable Form and Process for Producing the Same Takeda Pharmaceutical Company Limited (JP) 2011-01-19 EP disclosed
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-7662974-B2 reduction of carboxylic acid ester using metal hydride complexes and metal halides to form compounds such as ethyl (3S)-3-hydroxy-3-{6-[(methylamino)carbonyl]-2-naphthyl}-3-(1-trityl-1H-imidazol-4-yl)propanoate, used as lyase enzyme inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-16 US disclosed
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-24 US disclosed
EP-1471056-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME Takeda Chemical Industries, Ltd. (JP) 2004-10-27 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 (3 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-20120077985-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 PIN1 1018/4885MEN1 389/4885KMT2A 1391/4885
US-20050043544-A1 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same CYP17A1, HSD17B7, HSD17B1 PIN1 996/4885MEN1 375/4885KMT2A 1373/4885
US-20100105922-A1 PROCESS FOR PRODUCING FUSED IMIDAZOLE COMPOUND, REFORMATSKY REAGENT IN STABLE FORM, AND PROCESS FOR PRODUCING THE SAME CYP17A1, HSD17B7, HSD17B1 PIN1 1018/4885MEN1 389/4885KMT2A 1391/4885

“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.