SCHEMBL2601694

SCHEMBL2601694

CC(C)n1c(=O)oc2cc(NC(=O)N[C@H]3CC[C@H](NS(=O)(=O)C(C)C)CC3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.41
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
GNRHR P30968 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.37
EPHX1 P07099 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2601692 0.90 TP53 (0.40) EPHX2ALDH1A1GNRHRMAPTTP53
SCHEMBL2601907 0.89 ALDH1A1 (0.40) EPHX2ALDH1A1POLBGNRHRMMP12
SCHEMBL2600321 0.86 EPHX2 (0.56) EPHX2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2600316 0.86 NPY5R (0.43) NPY5RALDH1A1MAPTLMNAHPGD
SCHEMBL11936164 0.82 NPY5R (0.42) NPY5RALDH1A1LMNAHPGDTSHR
SCHEMBL2600311 0.77 NPY5R (0.43) NPY5RALDH1A1MAPTLMNAHPGD
SCHEMBL2601908 0.76 KDM4E (0.42) ALDH1A1POLBMAPTTSHRTP53
SCHEMBL2600313 0.76 ALDH1A1 (0.46) NPY5RALDH1A1MAPTTP53SMN1; SMN2
SCHEMBL2600317 0.75 NPY5R (0.41) NPY5RALDH1A1MAPTLMNAHPGD
SCHEMBL10191562 0.74 NPC1 (0.43) ALDH1A1POLBGNRHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372833-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2013-02-12 US disclosed
US-20120095231-A1 UREA DERIVATIVE YANO TOSHISADA (JP) 2012-04-19 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088777-B2 Urea derivative SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 US disclosed
US-20090203712-A1 Urea Derivative SHIONOGI &CO., LTD. 2009-08-13 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-20120095231-A1 UREA DERIVATIVE NPY5R, NPY1R, NPY2R NPY5R 1/4885EPHX2 4211/4885ALDH1A1 4384/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R NPY5R 1/4885EPHX2 4206/4885ALDH1A1 4390/4885

“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.