SCHEMBL2801691

SCHEMBL2801691

CCOC(=O)c1cn[nH]c1NC=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 11/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.39
CTSK P43235 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL31725048 0.79 ALDH1A1 (0.57) RAB9ANPC1L3MBTL1GAAALDH1A1
SCHEMBL7687953 0.77 ALDH1A1 (0.62) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL15360224 0.74 ALDH1A1 (0.62) RAB9ANPC1L3MBTL1GAAALDH1A1
SCHEMBL8107490 0.73 ALDH1A1 (0.77) RAB9ANPC1L3MBTL1GAAALDH1A1
SCHEMBL25863176 0.73 ALDH1A1 (0.60) RAB9ANPC1L3MBTL1GAAALDH1A1
SCHEMBL29923588 0.73 ALDH1A1 (0.50) RAB9AALDH1A1KMT2AMAPTCYP2C9
SCHEMBL27167381 0.73 ALDH1A1 (0.50) RAB9AALDH1A1KMT2AMAPTCYP2C9
SCHEMBL21200870 0.73 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL9106674 0.72 ALDH1A1 (0.49) RAB9ANPC1L3MBTL1ALDH1A1MAPT
SCHEMBL5540923 0.72 ALDH1A1 (0.53) RAB9AL3MBTL1GAAALDH1A1MEN1

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 RAB9A 3259/4885NPC1 1787/4885L3MBTL1 3733/4885

“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.