SCHEMBL1337151

SCHEMBL1337151

CN(Cc1ccccc1)C(=O)[C@@H](CCc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
KMT2A Q03164 6/20 0.49
RIPK1 Q13546 1/20 0.47
MEN1 O00255 4/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
METAP2 P50579 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
MGLL Q99685 1/20 0.41
ADAM17 P78536 1/20 0.40

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
SCHEMBL9103138 0.84 KMT2A (0.41) HPGDKMT2ARIPK1MEN1HTT
SCHEMBL16209740 0.80 HPGD (0.59) HPGDKMT2ARIPK1MEN1NPC1
SCHEMBL16209743 0.80 HPGD (0.59) HPGDKMT2ARIPK1MEN1NPC1
Ammonia Solution, Strong SCHEMBL1338272 0.78 HPGD (0.47) HPGDKMT2ARIPK1MEN1NPC1
SCHEMBL1337896 0.76 HPGD (0.56) HPGDKMT2ARIPK1MEN1NPC1
SCHEMBL7134708 0.75 KMT2A (0.40) HPGDKMT2AMEN1HTTL3MBTL1
SCHEMBL5065706 0.74 KMT2A (0.47) HPGDKMT2AMEN1HTTL3MBTL1
SCHEMBL28932692 0.74 HPGD (0.48) HPGDKMT2ARIPK1MEN1HTT
SCHEMBL2500069 0.74 HPGD (0.48) HPGDKMT2ARIPK1MEN1HTT
SCHEMBL16670450 0.74 TAS1R3 (0.46) HPGDKMT2AMEN1NPC1RAB9A

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-8859814-B2 Alpha-substituted N-sulfonyl gylcine amides antagonists of CCR10, compositions containing the same and methods for using them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
US-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275612-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM CCR10, CCR1, CCR3 HPGD 3315/4885KMT2A 3333/4885RIPK1 3629/4885

“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.