SCHEMBL2601692

SCHEMBL2601692

CCS(=O)(=O)N[C@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)oc(=O)n3C(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
EPHX2 P34913 4/20 0.40
GNRHR P30968 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38

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
SCHEMBL2601694 0.90 NPY5R (0.41) TP53EPHX2GNRHRALDH1A1SMN1; SMN2
SCHEMBL2601907 0.88 ALDH1A1 (0.40) EPHX2GNRHRALDH1A1MAPT
SCHEMBL2600313 0.86 ALDH1A1 (0.46) TP53ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL11936169 0.83 ALDH1A1 (0.39) TP53ALDH1A1MAPT
SCHEMBL2600321 0.83 EPHX2 (0.56) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL2600311 0.76 NPY5R (0.43) TP53ALDH1A1MAPTKDM4E
SCHEMBL2600316 0.76 NPY5R (0.43) TP53ALDH1A1MAPTKDM4E
SCHEMBL2600317 0.74 NPY5R (0.41) TP53ALDH1A1MAPT
SCHEMBL11936164 0.74 NPY5R (0.42) TP53ALDH1A1
SCHEMBL2600307 0.73 NPY5R (0.46) ALDH1A1SMN1; SMN2MAPTKDM4E

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 TP53 3688/4885EPHX2 4211/4885GNRHR 83/4885
US-20090203712-A1 Urea Derivative NPY5R, NPY1R, NPY2R TP53 3658/4885EPHX2 4206/4885GNRHR 80/4885

“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.