SCHEMBL4051685

SCHEMBL4051685

CC(=O)Nc1ccc(C(OS(C)(=O)=O)C(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA9 Q16790 5/20 0.45
CA12 O43570 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.43
NR1I2 O75469 1/20 0.43

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
SCHEMBL4981707 0.84 HPGD (0.48) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL14463078 0.75 SMN1; SMN2 (0.59) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL19806131 0.73 SMN1; SMN2 (0.57) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL104524 0.73 SMN1; SMN2 (0.61) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL4047496 0.72 SMN1; SMN2 (0.55) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL11010698 0.71 SMN1; SMN2 (0.44) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL11215594 0.71 SMN1; SMN2 (0.44) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL27254651 0.70 SMN1; SMN2 (0.64) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL11989512 0.70 SMN1; SMN2 (0.53) CA1CA2CA9CA12SMN1; SMN2
SCHEMBL8643836 0.70 SMN1; SMN2 (0.57) CA1CA2CA9CA12SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-20080058334-A1 Retinoic Acid Mimetic Anilides MABIRE DOMINIQUE 2008-03-06 US disclosed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US disclosed
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-6936626-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-30 US disclosed
US-20050165018-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2005-07-28 US disclosed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed
US-20020115653-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2002-08-22 US disclosed
US-6319939-B1 P-(HETEROCYCLIC METHYL)-SUBSTUTED ANILIDES ARE POTENT INHIBITORS OF THE RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 2001-11-20 US disclosed
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 WO 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 (4 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-20020115653-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CA1 3116/4885CA2 3466/4885CA9 1831/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CA1 3242/4885CA2 4173/4885CA9 2172/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CA1 3026/4885CA2 3991/4885CA9 1936/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CA1 3242/4885CA2 4173/4885CA9 2172/4885

“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.