SCHEMBL2800966

SCHEMBL2800966

COc1ccc(C2CCN(C(=O)c3cnc4c(C(=O)O)cnn4c3Nc3cc(C)ccc3F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 3/20 0.40
PRSS12 P56730 1/20 0.40
DHODH Q02127 1/20 0.39
CCKAR P32238 2/20 0.39
MT-CO1 P00395 1/20 0.39
CNR2 P34972 1/20 0.39
HSD11B1 P28845 1/20 0.39
TRPC6 Q9Y210 2/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TRPC3 Q13507 1/20 0.39
MAPT P10636 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CPS1 P31327 2/20 0.38
TP53 P04637 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
SCHEMBL2799735 0.92 FASN (0.40) FASNPRSS12DHODHHCRTR1HCRTR2
SCHEMBL2799696 0.92 TP53 (0.41) FASNTRPC6HCRTR1HCRTR2MAPT
SCHEMBL2801655 0.91 ALDH1A1 (0.41) FASNMAPTEGLN1ALDH1A1KDM4E
SCHEMBL2801212 0.90 DHODH (0.37) FASNDHODHMAPTEGLN1ALDH1A1
SCHEMBL2803063 0.89 FASN (0.39) FASNTRPC6HCRTR1HCRTR2EGLN1
SCHEMBL2800543 0.88 EGLN1 (0.37) DHODHCCKARMT-CO1CNR2HCRTR1
SCHEMBL2801551 0.86 FASN (0.39) FASNDHODHMAPTALDH1A1HPGD
SCHEMBL2799665 0.85 FASN (0.42) FASNPRSS12MAPTALDH1A1TP53
SCHEMBL2799695 0.85 KDM4E (0.41) FASNMAPTALDH1A1HPGDKDM4E
SCHEMBL2803138 0.84 TP53 (0.42) DHODHHCRTR1HCRTR2MAPTALDH1A1

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 FASN 4286/4885PRSS12 1722/4885DHODH 446/4885

“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.