SCHEMBL2803131

SCHEMBL2803131

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
FASN P49327 12/20 0.35
HTR1A P08908 1/20 0.35
SCD5 Q86SK9 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE4B Q07343 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TLR4 O00206 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL2801080 0.94 ALDH1A1 (0.36) FASNHTR1ASCD5KDM4EALDH1A1
SCHEMBL2802527 0.94 SPR (0.37) FASN
SCHEMBL2803620 0.93 P2RX7 (0.36) TP53FASNHTR1ASCD5KDM4E
SCHEMBL2800858 0.90 TP53 (0.42) TP53FASNHTR1ASCD5KDM4E
SCHEMBL2800821 0.89 ALDH1A1 (0.39) FASNSCD5ALDH1A1
SCHEMBL2800861 0.86 TP53 (0.39) TP53FASNALDH1A1PDE4BPOLB
SCHEMBL2801755 0.85 PDE4B (0.37) TP53SCD5KDM4EALDH1A1PDE4B
SCHEMBL2801731 0.85 TP53 (0.41) TP53FASNHTR1ASCD5ALDH1A1
SCHEMBL2803186 0.85 FASN (0.38) FASNALDH1A1
SCHEMBL2803802 0.85 AVPR1A (0.37) TP53HTR1AKDM4EALDH1A1PDE4B

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 241/4885FASN 4286/4885HTR1A 4733/4885

“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.