SCHEMBL2801339

SCHEMBL2801339

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC(c4ccc(F)cc4F)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
THRB P10828 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KCNH2 Q12809 1/20 0.35
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34
GRM2 Q14416 1/20 0.34
APLNR P35414 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
PRCP P42785 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
SCN9A Q15858 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
SCHEMBL2801670 0.91 FASN (0.39) TP53THRBLMNAMAPT
SCHEMBL2803138 0.89 TP53 (0.42) TP53THRBLMNAMAPTGRM2
SCHEMBL2799537 0.89 RECQL (0.36) TP53THRBLMNAMAPTKCNH2
SCHEMBL2800842 0.89 ALDH1A1 (0.38) TP53MAPTSCN9A
SCHEMBL2800942 0.88 TP53 (0.40) TP53THRBLMNAMAPTKCNH2
SCHEMBL2803063 0.86 FASN (0.39) TP53LMNAHCRTR1HCRTR2
SCHEMBL2803803 0.86 FASN (0.40) TP53THRBLMNAMAPT
SCHEMBL2802313 0.85 EGLN1 (0.35) LMNAIRAK4
SCHEMBL2799817 0.84 FASN (0.36) TP53THRBLMNAMAPTKCNH2
SCHEMBL2803080 0.83 FASN (0.39) TP53THRBLMNAMAPTSCN9A

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 241/4885THRB 4546/4885LMNA 2418/4885

“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.