SCHEMBL19317249

SCHEMBL19317249

Cc1cc(C(=O)OCCN2CCOCC2)ccc1C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
ATM Q13315 1/20 0.60
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55
HTR7 P34969 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP1A2 P05177 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
SCHEMBL19317331 0.93 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2ATMKDM4EGAA
SCHEMBL19317296 0.93 KDM4E (0.65) L3MBTL1SMN1; SMN2ATMKDM4EGAA
SCHEMBL19317330 0.91 KDM4E (0.59) L3MBTL1SMN1; SMN2ATMKDM4EGAA
SCHEMBL19354877 0.91 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2ATMKDM4EGAA
SCHEMBL19317247 0.89 KMT2A (0.56) L3MBTL1SMN1; SMN2ATMKDM4EGAA
SCHEMBL19317250 0.88 KMT2A (0.59) L3MBTL1SMN1; SMN2KDM4EHTR7ALDH1A1
SCHEMBL19321935 0.87 L3MBTL1 (0.70) L3MBTL1SMN1; SMN2ATMKDM4EGAA
SCHEMBL19317323 0.85 HRH3 (0.46) L3MBTL1SMN1; SMN2ATMKDM4EHTR7
SCHEMBL13763495 0.82 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2ATMKDM4EGAA
SCHEMBL19317292 0.81 CYP2D6 (0.60) L3MBTL1SMN1; SMN2KDM4EGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 US disclosed
US-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-09-07 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-20170253569-A1 THIAZOLIDINONE COMPOUNDS AND USE THEREOF OPRL1, OPRD1, OPRK1 L3MBTL1 4651/4885SMN1; SMN2 1388/4885ATM 3689/4885

“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.