SCHEMBL2803802

SCHEMBL2803802

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.37
IDO1 P14902 1/20 0.37
TP53 P04637 2/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCD O00767 1/20 0.34
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
TLR4 O00206 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE4B Q07343 1/20 0.31
HTR1A P08908 1/20 0.31

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) AVPR1AIDO1TP53KDM4EALDH1A1
SCHEMBL2801581 0.91 ALDH1A1 (0.33) IDO1TP53KDM4EALDH1A1HPGD
SCHEMBL2801919 0.91 AVPR1A (0.37) AVPR1AIDO1TP53KDM4EALDH1A1
SCHEMBL2803627 0.91 AVPR1A (0.37) AVPR1AIDO1KDM4ESCDPDE4B
SCHEMBL2804334 0.90 ALDH1A1 (0.33) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2800426 0.89 AVPR1A (0.41) AVPR1AIDO1TP53KDM4EALDH1A1
SCHEMBL2800768 0.89 IDO1 (0.37) AVPR1AIDO1ALDH1A1HPGDHSD17B10
SCHEMBL2803190 0.88 AVPR1A (0.40) AVPR1AIDO1TP53KDM4EALDH1A1
SCHEMBL2798475 0.87 PRSS1 (0.37) AVPR1AALDH1A1HPGDHSD17B10PRSS1
SCHEMBL2799602 0.86 IDO1 (0.33) AVPR1AIDO1KDM4EALDH1A1HPGD

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 AVPR1A 4789/4885IDO1 2086/4885TP53 241/4885

“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.