SCHEMBL2801581

SCHEMBL2801581

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR4 O00206 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
TP53 P04637 2/20 0.31
THRB P10828 1/20 0.30
USP2 O75604 2/20 0.30
TSHR P16473 2/20 0.30
POLB P06746 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH1A3 P47895 1/20 0.30
PRSS1 P07477 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
SCHEMBL2799602 0.95 IDO1 (0.33) ALDH1A1KDM4EHPGDTLR4IDO1
SCHEMBL2800047 0.94 IDO1 (0.34) ALDH1A1KDM4EHPGDTLR4IDO1
SCHEMBL2803198 0.92 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10TLR4
SCHEMBL2803802 0.91 AVPR1A (0.37) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2801429 0.91 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2803189 0.90 PDE4B (0.36) ALDH1A1KDM4EIDO1TDO2
SCHEMBL2802251 0.90 TP53 (0.36) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2801683 0.89 KDM4E (0.36) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2804334 0.88 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2798475 0.88 PRSS1 (0.37) ALDH1A1HPGDHSD17B10USP2TSHR

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 ALDH1A1 243/4885KDM4E 3180/4885HPGD 589/4885

“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.