SCHEMBL23613286

SCHEMBL23613286

CC(C)CNC(=O)C(F)(F)CCCCOCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 2/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MLYCD O95822 1/20 0.33
TLR2 O60603 2/20 0.32
CES2 O00748 1/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
HPGD P15428 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL25680579 0.88 PLA2G2C (0.37) PLA2G2CCYP2C19TLR2CES2
SCHEMBL25962721 0.86 PLA2G2C (0.39) PLA2G2CCYP2C19TLR2CES2MMP8
SCHEMBL23613258 0.84 CYP2D6 (0.35) PLA2G2CCYP2D6CYP2C19TLR2MMP1
SCHEMBL20883265 0.78 EPHX1 (0.51) CYP2D6CYP2C19CES2EPHX1
SCHEMBL20883279 0.78 EPHX1 (0.51) CYP2D6CYP2C19CES2EPHX1
SCHEMBL23613458 0.78 CYP2D6 (0.38) CYP2D6CYP2C19MLYCDCES2MMP1
SCHEMBL23613454 0.71 PLA2G2C (0.30) PLA2G2C
SCHEMBL23872929 0.71 CYP2D6 (0.34) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL13373645 0.70 LMNA (0.42) CYP2D6CYP2C19TLR2MMP1MMP8
SCHEMBL23872743 0.70 CNR1 (0.36) PLA2G2CCYP2C19TLR2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 US 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 (3 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH PLA2G2C 522/4885CYP2D6 216/4885CYP2C19 127/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH PLA2G2C 522/4885CYP2D6 216/4885CYP2C19 127/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH PLA2G2C 522/4885CYP2D6 216/4885CYP2C19 127/4885

“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.