SCHEMBL3797208

SCHEMBL3797208

CCC(C(N)=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.52
AKR1C2 P52895 5/20 0.52
AKR1C1 Q04828 1/20 0.51
PTGS1 P23219 1/20 0.51
UGT2B7 P16662 1/20 0.49
EPHX1 P07099 1/20 0.47
AOC3 Q16853 1/20 0.46
TNF P01375 1/20 0.46
MMP9 P14780 1/20 0.44
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
CYP2D6 P10635 3/20 0.43
CYP3A4 P08684 2/20 0.43
KCNH2 Q12809 2/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10827613 0.88 AKR1C3 (0.56) AKR1C3AKR1C2AKR1C1PTGS1UGT2B7
SCHEMBL2318137 0.85 AKR1C3 (0.69) AKR1C3AKR1C2AKR1C1PTGS1UGT2B7
SCHEMBL27734602 0.81 AKR1C3 (0.52) AKR1C3AKR1C2AKR1C1PTGS1UGT2B7
SCHEMBL10418910 0.81 AOC3 (0.48) AKR1C3AKR1C2AKR1C1PTGS1UGT2B7
SCHEMBL28605610 0.81 EPHX1 (0.68) PTGS1UGT2B7EPHX1TNFSLC6A2
SCHEMBL10418907 0.81 AOC3 (0.48) AKR1C3AKR1C2AKR1C1PTGS1UGT2B7
SCHEMBL16634905 0.80 ROCK2 (0.52) AKR1C3AKR1C2AKR1C1PTGS1
Fenbutyramide SCHEMBL1478462 0.78 EPHX1 (0.63) EPHX1MEN1KMT2A
Fenbutyramide SCHEMBL232920 0.78 EPHX1 (0.63) EPHX1MEN1KMT2A
SCHEMBL5716820 0.78 UGT2B7 (0.53) UGT2B7EPHX1AOC3TNFMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3911645-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE Université de Lille (FR) 2021-11-24 EP claimed
WO-2020148403-A1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIVERSITE DE LILLE (FR) 2020-07-23 WO claimed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US claimed
CN-108569977-A A kind of preparation method of primary fatty amides 中国科学技术大学 2018-09-25 CN disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO 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-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 AKR1C3 1409/4885AKR1C2 1225/4885AKR1C1 1394/4885

“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.