SCHEMBL2800768

SCHEMBL2800768

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc(C)c3F)c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
AVPR1A P37288 1/20 0.36
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
ALDH1A1 P00352 3/20 0.32
SCD O00767 1/20 0.32
HPGD P15428 1/20 0.32
PDE4B Q07343 1/20 0.31
NPY5R Q15761 2/20 0.31
CBX7 O95931 1/20 0.31
EGFR P00533 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CDK1 P06493 1/20 0.30
PIM1 P11309 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
GSK3A P49840 1/20 0.30
PLK1 P53350 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL2802960 0.94 IDO1 (0.39) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801651 0.89 IDO1 (0.41) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2803802 0.89 AVPR1A (0.37) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2798475 0.89 PRSS1 (0.37) AVPR1APRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2801064 0.88 AVPR1A (0.39) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2803627 0.88 AVPR1A (0.37) IDO1AVPR1ASCDPDE4B
SCHEMBL2803162 0.85 IDO1 (0.38) IDO1AVPR1APRSS1PRSS2PRSS3
SCHEMBL2801581 0.83 ALDH1A1 (0.33) IDO1PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL2804334 0.83 ALDH1A1 (0.33) ALDH1A1HPGDPDE4BNPY5RCBX7
SCHEMBL2803993 0.83 CBX7 (0.35) ALDH1A1CBX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 IDO1 2086/4885AVPR1A 4789/4885PRSS1 1048/4885

“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.