SCHEMBL2801080

SCHEMBL2801080

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.36
HTR1A P08908 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34
SCD5 Q86SK9 1/20 0.34
FASN P49327 5/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 3/20 0.34
USP2 O75604 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TLR4 O00206 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SPR P35270 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL2803131 0.94 TP53 (0.38) ALDH1A1HTR1ASCD5FASNKDM4E
SCHEMBL2803620 0.92 P2RX7 (0.36) ALDH1A1HTR1ACYP46A1SCD5FASN
SCHEMBL2800983 0.90 CYP46A1 (0.37) ALDH1A1HTR1ACYP46A1SCD5FASN
SCHEMBL2802527 0.89 SPR (0.37) FASNMEN1KMT2ASPR
SCHEMBL2800821 0.89 ALDH1A1 (0.39) ALDH1A1SCD5FASN
SCHEMBL2800842 0.87 ALDH1A1 (0.38) ALDH1A1FASNKDM4ETSHRUSP2
SCHEMBL2801254 0.86 ADRA1A (0.36) ALDH1A1HTR1ACYP46A1MAPT
SCHEMBL2801518 0.85 CYP46A1 (0.36) ALDH1A1HTR1ACYP46A1SCD5FASN
SCHEMBL2803186 0.84 FASN (0.38) ALDH1A1FASNSPR
SCHEMBL2801670 0.83 FASN (0.39) ALDH1A1FASNMAPT

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 243/4885HTR1A 4733/4885CYP46A1 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.