SCHEMBL10114772

SCHEMBL10114772

Cc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc(F)c1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 3/20 0.36
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.33
GSK3B P49841 1/20 0.33
GRIA2 P42262 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL13204288 1.00 SHMT2 (0.36) SHMT2BRAFKDRSMN1; SMN2KDM4E
SCHEMBL14424176 0.94 SHMT2 (0.39) SHMT2BRAFKDRSMN1; SMN2KDM4E
SCHEMBL10114758 0.94 SHMT2 (0.39) SHMT2BRAFKDRSMN1; SMN2KDM4E
SCHEMBL12882326 0.93 MEN1 (0.38) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL10114738 0.93 MEN1 (0.38) SMN1; SMN2MEN1KMT2APOLBLMNA
SCHEMBL10114384 0.84 MAPT (0.48) BRAFKDRKDM4ERAB9AMEN1
SCHEMBL10133387 0.84 MAPT (0.48) BRAFKDRKDM4ERAB9AMEN1
SCHEMBL10114386 0.83 KDM4E (0.40) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL10114735 0.83 KDM4E (0.40) SMN1; SMN2KDM4ERAB9AMEN1KMT2A
SCHEMBL17090144 0.83 NPY5R (0.35) GRIA2

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SHMT2 4555/4885BRAF 4341/4885KDR 1712/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SHMT2 4664/4885BRAF 4418/4885KDR 1455/4885

“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.