SCHEMBL2800842

SCHEMBL2800842

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
EGLN1 Q9GZT9 2/20 0.38
FASN P49327 1/20 0.37
OPRM1 P35372 1/20 0.36
RECQL P46063 1/20 0.36
SPR P35270 1/20 0.35
SCN9A Q15858 1/20 0.35
F11 P03951 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CCR3 P51677 1/20 0.34
KDM4E B2RXH2 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

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 0.94 FASN (0.39) ALDH1A1EGLN1FASNRECQLNPC1
SCHEMBL2799537 0.93 RECQL (0.36) ALDH1A1EGLN1FASNRECQLSPR
SCHEMBL2800861 0.93 TP53 (0.39) ALDH1A1FASNOPRM1SPRF11
SCHEMBL2802313 0.92 EGLN1 (0.35) ALDH1A1EGLN1FASNRECQLSPR
SCHEMBL2803063 0.92 FASN (0.39) ALDH1A1EGLN1FASNTP53KMT2A
SCHEMBL2802567 0.91 EGLN1 (0.38) ALDH1A1EGLN1FASNSPRSCN9A
SCHEMBL2799996 0.91 SIRT5 (0.40) ALDH1A1EGLN1FASNOPRM1SPR
SCHEMBL2802799 0.90 ALDH1A1 (0.40) ALDH1A1EGLN1FASNSPRSCN9A
SCHEMBL2801655 0.89 ALDH1A1 (0.41) ALDH1A1EGLN1FASNSPRF11
SCHEMBL2803213 0.89 NPC1 (0.40) ALDH1A1FASNOPRM1SPRF11

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 ALDH1A1 243/4885EGLN1 1967/4885FASN 4286/4885

“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.