SCHEMBL14617697

SCHEMBL14617697

CCOC(=O)C(OC#N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.49
PIN1 Q13526 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL1371273 0.85 MMP8 (0.50) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL4599256 0.83 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL12951609 0.83 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL2312705 0.83 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL16672673 0.80 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL17653672 0.80 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL27652260 0.80 MMP8 (0.54) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL11629465 0.79 CYP2D6 (0.45) SMN1; SMN2GAATSHRKDM4EALDH1A1
SCHEMBL13417663 0.78 MMP8 (0.53) MMP8PIN1SMN1; SMN2MEN1KMT2A
SCHEMBL10342626 0.77 MMP8 (0.49) MMP8PIN1SMN1; SMN2MEN1KMT2A

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-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 MMP8 4063/4885PIN1 31/4885SMN1; SMN2 2177/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 MMP8 4063/4885PIN1 31/4885SMN1; SMN2 2177/4885

“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.