SCHEMBL2801602

SCHEMBL2801602

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc4c3CCC4)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.40
FASN P49327 1/20 0.38
RORC P51449 1/20 0.38
TRPV1 Q8NER1 3/20 0.36
HSD11B1 P28845 2/20 0.35
ALDH1A1 P00352 2/20 0.35
F11 P03951 1/20 0.35
CCKBR P32239 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GUCY1A1 Q02108 2/20 0.34
GUCY1B1 Q02153 2/20 0.34
PARP1 P09874 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
SCHEMBL2800063 0.89 SPR (0.44) SPRFASNRORCTRPV1HSD11B1
SCHEMBL2803213 0.89 NPC1 (0.40) SPRFASNALDH1A1F11SIRT5
SCHEMBL2801637 0.87 SIRT5 (0.41) SPRFASNALDH1A1F11CCKBR
SCHEMBL2801510 0.87 EGLN1 (0.38) SPRFASNALDH1A1F11SIRT5
SCHEMBL2799384 0.87 NPC1 (0.38) SPRFASNALDH1A1F11SIRT5
SCHEMBL2800478 0.86 SIRT5 (0.46) SPRFASNALDH1A1CCKBRSIRT5
SCHEMBL2800485 0.86 ALDH1A1 (0.37) SPRFASNALDH1A1CCKBRSIRT5
SCHEMBL2802343 0.86 JAK2 (0.38) SPRFASNALDH1A1CCKBRSIRT5
SCHEMBL2803776 0.86 SPR (0.38) SPRFASNHSD11B1ALDH1A1F11
SCHEMBL2798787 0.86 TNF (0.36) SPRFASNALDH1A1F11CCKBR

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 2955/4885FASN 4286/4885RORC 492/4885

“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.