SCHEMBL1967095

SCHEMBL1967095

COC(=O)C(NC1CC1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
SLC6A3 Q01959 2/20 0.40
TACR3 P29371 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MIF P14174 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL1971976 0.94 SLC6A3 (0.45) ESR1ESR2SLC6A3KMT2A
SCHEMBL75350 0.85 KMT2A (0.53) SLC6A3KMT2AMEN1
SCHEMBL15270572 0.80 KMT2A (0.47) SLC6A3TACR3KMT2AMEN1
SCHEMBL15270318 0.80 KMT2A (0.47) SLC6A3TACR3KMT2AMEN1
SCHEMBL17483400 0.78 ESR1 (0.53) ESR1ESR2TACR3MMP2MMP9
SCHEMBL10210691 0.78 ESR1 (0.53) ESR1ESR2TACR3MMP2MMP9
SCHEMBL12379279 0.78 ESR1 (0.53) ESR1ESR2TACR3MMP2MMP9
SCHEMBL13919960 0.78 ESR1 (0.53) ESR1ESR2TACR3MMP2MMP9
SCHEMBL1968988 0.78 ESR1 (0.53) ESR1ESR2TACR3MMP2MMP9
SCHEMBL10211446 0.78 ESR1 (0.53) ESR1ESR2TACR3MMP2MMP9

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-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 ESR1 156/4885ESR2 185/4885SLC6A3 2191/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 ESR1 156/4885ESR2 187/4885SLC6A3 2195/4885

“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.