SCHEMBL14717531

SCHEMBL14717531

CC(C)(C)N(C(=O)O)[C@@H](C=CC#N)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.38
CTSK P43235 4/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 4/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CPA3 P15088 1/20 0.35
FOLH1 Q04609 1/20 0.35
MAOB P27338 1/20 0.35
CTSC P53634 1/20 0.35

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
SCHEMBL14717530 1.00 CTSL (0.38) CTSLCTSKCTSBCTSSHPGD
SCHEMBL14717529 1.00 CTSL (0.38) CTSLCTSKCTSBCTSSHPGD
SCHEMBL12491349 0.81 HPGD (0.38) HPGDMEN1KMT2AHTTL3MBTL1
SCHEMBL15521891 0.81 HPGD (0.38) HPGDMEN1KMT2AHTTL3MBTL1
SCHEMBL15521892 0.81 HPGD (0.38) HPGDMEN1KMT2AHTTL3MBTL1
SCHEMBL5474507 0.80 MEN1 (0.48) HPGDMEN1KMT2AHTTL3MBTL1
SCHEMBL14717641 0.80 MEN1 (0.48) HPGDMEN1KMT2AHTTL3MBTL1
SCHEMBL1000812 0.80 MEN1 (0.48) HPGDMEN1KMT2AHTTL3MBTL1
SCHEMBL15521836 0.79 HPGD (0.41) HPGDMEN1KMT2AHTTL3MBTL1
SCHEMBL15521834 0.79 HPGD (0.41) HPGDMEN1KMT2AHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 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 (1 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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA CTSL 4860/4885CTSK 4632/4885CTSB 4473/4885

“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.