SCHEMBL9592134

SCHEMBL9592134

CC(C)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
PRCP P42785 1/20 0.36
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
SCN4A P35499 1/20 0.35
FAP Q12884 1/20 0.34
TLR2 O60603 2/20 0.34
ELANE P08246 1/20 0.34

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
Hydrochloric Acid SCHEMBL6026726 0.98 NOS2 (0.36) NOS2NOS3NOS1PRCPDPP4
SCHEMBL28695544 0.98 NOS2 (0.36) NOS2NOS3NOS1PRCPDPP4
SCHEMBL1740647 0.88 NOS2 (0.36) NOS2NOS3NOS1PRCPDPP4
SCHEMBL27646576 0.86 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL20839948 0.86 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
SCHEMBL7378973 0.86 NOS2 (0.35) NOS2NOS3NOS1PRCPDPP4
SCHEMBL15210886 0.86 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL499450 0.86 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP4
SCHEMBL2543576 0.85 NOS2 (0.38) NOS2NOS3NOS1PRCPDPP4
SCHEMBL11560633 0.85 CYP3A4 (0.36) NOS2NOS3NOS1PRCPDPP4

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-20230219928-A1 PREPARATION METHOD FOR AROMATIC ETHER COMPOUND ASIERIS PHARMACEUTICALS (SHANGHAI) CO., LTD. (CN) 2023-07-13 US disclosed
EP-4177243-A1 PREPARATION METHOD FOR AROMATIC ETHER COMPOUND Jiangsu Yahong Meditech Co., Ltd. (CN) 2023-05-10 EP disclosed
US-5202443-A PROCESS FOR PREPARING 1-(2S)-3-MERCAPTO-METHYL-1-OXOPROPYL)-L-PROLINE EGIS GYOGYSZERGYAR (HU) 1993-04-13 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 (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-20230219928-A1 PREPARATION METHOD FOR AROMATIC ETHER COMPOUND F7, F5, CYP2F1 NOS2 2995/4885NOS3 3105/4885NOS1 2593/4885

“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.