SCHEMBL2801669

SCHEMBL2801669

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc4[nH]ccc34)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.43
MGLL Q99685 3/20 0.40
MAPK14 Q16539 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
FASN P49327 1/20 0.36
TPSAB1 Q15661 2/20 0.36
AVPR1A P37288 1/20 0.36
HTR2B P41595 1/20 0.35
ALDH1A1 P00352 1/20 0.35
OPRM1 P35372 1/20 0.35
CHRM2 P08172 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
CCR5 P51681 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
SCHEMBL2801767 0.89 SPR (0.47) SPRMGLLMAPK14TRPV1FASN
SCHEMBL2801029 0.89 SPR (0.41) SPRMGLLFASNTPSAB1AVPR1A
SCHEMBL2801492 0.87 SPR (0.45) SPRMGLLMAPK14TRPV1TPSAB1
SCHEMBL2802343 0.87 JAK2 (0.38) SPRMGLLFASNTPSAB1ALDH1A1
SCHEMBL2802212 0.86 SPR (0.41) SPRMGLLMAPK14FASNAVPR1A
SCHEMBL2801510 0.86 EGLN1 (0.38) SPRFASNALDH1A1OPRM1SIRT5
SCHEMBL2803213 0.86 NPC1 (0.40) SPRFASNALDH1A1OPRM1SIRT5
SCHEMBL2801629 0.86 MGLL (0.42) SPRMGLLTPSAB1ALDH1A1
SCHEMBL2800919 0.86 ALDH1A1 (0.38) SPRFASNTPSAB1HTR2BALDH1A1
SCHEMBL2801964 0.86 SPR (0.40) SPRMGLLMAPK14FASNAVPR1A

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 SPR 2955/4885MGLL 4369/4885MAPK14 635/4885

“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.