SCHEMBL4690971

SCHEMBL4690971

CC(C)(C)[Si](OCCC1(CCOc2cc(C(=O)O)cc(C(=O)O)c2)CCCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PLA2G2A P14555 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
SMYD2 Q9NRG4 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 3/20 0.33
ABL1 P00519 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GCK P35557 1/20 0.32

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
SCHEMBL4690379 0.91 ABL1 (0.42) KMT2ACYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4687841 0.84 KMT2A (0.37) KMT2AMEN1SMYD2CYP3A4HTT
SCHEMBL4691042 0.84 ALDH1A1 (0.36) KMT2AMEN1SMYD2CYP3A4HTT
SCHEMBL5112445 0.82 ALDH1A1 (0.42) KMT2AMEN1SMYD2CYP3A4HTT
SCHEMBL1843269 0.80 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL4687848 0.80 CYP3A4 (0.36) KMT2AMEN1SMYD2CYP3A4HTT
SCHEMBL4691050 0.80 SMN1; SMN2 (0.37) KMT2AMEN1SMYD2CYP3A4HTT
SCHEMBL4691044 0.78 SMYD2 (0.32) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL4690348 0.78 MEN1 (0.47) KMT2AMEN1HTTSMN1; SMN2ABL1
SCHEMBL4687409 0.78 SMYD2 (0.36) KMT2AMEN1SMYD2CYP3A4HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1443046-A1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2004-08-04 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 (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-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same CYP4F2, CYP1A2, CYP4B1 KMT2A 3378/4885MEN1 1716/4885PLA2G2A 1789/4885
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same OPRM1, OPRD1, HRH4 KMT2A 2005/4885MEN1 4384/4885PLA2G2A 1613/4885

“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.