SCHEMBL2798787

SCHEMBL2798787

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3ccccc3SC)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
NR2F2 P24468 1/20 0.36
NOD1 Q9Y239 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
SPR P35270 3/20 0.36
ALDH1A1 P00352 3/20 0.36
FASN P49327 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SCD5 Q86SK9 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34

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
SCHEMBL2803213 0.91 NPC1 (0.40) SIRT5SPRALDH1A1FASNL3MBTL1
SCHEMBL2801510 0.91 EGLN1 (0.38) SIRT5SPRALDH1A1FASNL3MBTL1
SCHEMBL2800478 0.90 SIRT5 (0.46) SIRT5SPRALDH1A1FASNMGLL
SCHEMBL2803776 0.89 SPR (0.38) SIRT5SPRALDH1A1FASNL3MBTL1
SCHEMBL2802343 0.89 JAK2 (0.38) SIRT5SPRALDH1A1FASNL3MBTL1
SCHEMBL2800955 0.89 SPR (0.41) TNFNR2F2NOD1SIRT5SPR
SCHEMBL2802383 0.88 HPGD (0.45) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2798793 0.88 SPR (0.41) SIRT5SPRALDH1A1FASNL3MBTL1
SCHEMBL2801637 0.88 SIRT5 (0.41) SIRT5SPRALDH1A1FASNMGLL
SCHEMBL2800861 0.87 TP53 (0.39) SPRALDH1A1FASNKMT2AOPRM1

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 TNF 198/4885NR2F2 239/4885NOD1 670/4885

“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.