SCHEMBL21768174

SCHEMBL21768174

O=C(O)c1ccc(O)cc1-c1ccc(C(=O)N2Cc3ccc(Cl)cc3C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
ESR2 Q92731 2/20 0.41
HSP90B1 P14625 3/20 0.39
TRAP1 Q12931 3/20 0.39
NAMPT P43490 2/20 0.39
ROCK2 O75116 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FASN P49327 2/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SERPINE1 P05121 1/20 0.39

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
SCHEMBL21768167 0.83 MAOB (0.56) MAOBCA1CA2CA7CA9
SCHEMBL30089453 0.83 MAOB (0.56) MAOBCA1CA2CA7CA9
SCHEMBL21768173 0.73 MAOB (0.47) MAOBCA1CA2CA7CA9
SCHEMBL2785635 0.72 HSD17B10 (0.68) CA1CA2CA7CA9CA14
SCHEMBL10680869 0.71 CA1 (0.70) CA1CA2CA7CA9CA14
SCHEMBL28323304 0.71 MAOB (0.46) MAOBHSP90AA1HSP90B1TRAP1NAMPT
SCHEMBL20695878 0.71 HSD17B10 (0.66) CA1CA2CA7CA9CA14
SCHEMBL900834 0.71 HSD17B10 (0.71) CA1CA2CA7CA9CA14
SCHEMBL809394 0.69 ALDH1A1 (0.59) CA1CA2HSD17B10SERPINE1SRD5A2
SCHEMBL9786887 0.69 HSD17B1 (0.66) CA1CA2CA7CA9CA14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200087248-A1 Fluoroallylamine Derivative And Use Thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-03-19 US disclosed
EP-3617186-A1 FLUOROALLYLAMINE DERIVATIVE AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 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-20200087248-A1 Fluoroallylamine Derivative And Use Thereof VAPB, VAPA, SLC28A1 MAOB 60/4885CA1 3432/4885CA2 3082/4885

“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.