SCHEMBL2800858

SCHEMBL2800858

Cc1ccc(C)c(Nc2c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
PDE4B Q07343 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.38
FASN P49327 7/20 0.38
SCD5 Q86SK9 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 1/20 0.36
TLR4 O00206 1/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 1/20 0.36
SPR P35270 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2800107 0.94 SPR (0.39) TP53FASNKDM4EALDH1A1TLR4
SCHEMBL2800983 0.93 CYP46A1 (0.37) TP53PDE4BCYP46A1FASNSCD5
SCHEMBL2801731 0.92 TP53 (0.41) TP53PDE4BCYP46A1FASNSCD5
SCHEMBL2801547 0.92 TP53 (0.38) TP53PDE4BCYP46A1FASNSCD5
SCHEMBL2803131 0.90 TP53 (0.38) TP53PDE4BFASNSCD5KDM4E
SCHEMBL2799803 0.88 PDE4B (0.38) PDE4BFASNSCD5ALDH1A1SPR
SCHEMBL2801518 0.85 CYP46A1 (0.36) TP53PDE4BCYP46A1FASNSCD5
SCHEMBL2801242 0.84 KDM4E (0.40) PDE4BFASNKDM4EALDH1A1RAB9A
SCHEMBL2801306 0.84 NPC1 (0.41) TP53KDM4EALDH1A1RAB9AHSD17B10
SCHEMBL2799436 0.84 TP53 (0.44) TP53PDE4BFASNALDH1A1RAB9A

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 TP53 241/4885PDE4B 1603/4885CYP46A1 823/4885

“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.