SCHEMBL2803258

SCHEMBL2803258

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3ccccc3OC(F)F)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP1 P29466 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
SCN9A Q15858 1/20 0.35
CNR2 P34972 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TYK2 P29597 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SPR P35270 1/20 0.34
JAK2 O60674 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
SCHEMBL2802383 0.91 HPGD (0.45) ALDH1A1HPGDL3MBTL1CASP1MAPT
SCHEMBL2801506 0.89 MGLL (0.38) ALDH1A1HPGDL3MBTL1CASP1TSHR
SCHEMBL2801510 0.87 EGLN1 (0.38) ALDH1A1L3MBTL1SIRT5SPREGLN1
SCHEMBL2803213 0.87 NPC1 (0.40) ALDH1A1L3MBTL1SIRT5SPRFASN
SCHEMBL2800478 0.86 SIRT5 (0.46) ALDH1A1HPGDSMN1; SMN2MAPTCNR2
SCHEMBL2798787 0.86 TNF (0.36) ALDH1A1L3MBTL1LMNASIRT5SPR
SCHEMBL2803776 0.86 SPR (0.38) ALDH1A1L3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL2802343 0.86 JAK2 (0.38) ALDH1A1L3MBTL1LMNATYK2SIRT5
SCHEMBL2800033 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2SCN9ASPREGLN1
SCHEMBL2799384 0.85 NPC1 (0.38) ALDH1A1L3MBTL1MAPTSIRT5SPR

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 MAP3K7 1165/4885TAB1 1407/4885ALDH1A1 243/4885

“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.