SCHEMBL22861876

SCHEMBL22861876

CCCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)OCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ THRB P10828 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ PKM P14618 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
SCHEMBL25218063 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL25225086 0.79 TSHR (0.61) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL26248058 0.79 TSHR (0.50) ALDH1A1KDM4EMAPTL3MBTL1LMNA
SCHEMBL22861877 0.78 CYP1A2 (0.53) —
SCHEMBL8689559 0.76 ALDH1A1 (0.62) ALDH1A1KDM4EL3MBTL1LMNAKMT2A
SCHEMBL11337833 0.74 ALDH1A1 (0.67) ALDH1A1THRBKDM4ELMNATSHR
SCHEMBL11344104 0.73 ALDH1A1 (0.68) ALDH1A1THRBKDM4EMAPTL3MBTL1
SCHEMBL30585369 0.73 — —
SCHEMBL25219425 0.73 CYP1A2 (0.56) ALDH1A1KDM4EMAPTTSHRKMT2A
SCHEMBL897672 0.73 — —

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-11702394-B2 Inhibitors of phospholipid synthesis and methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 — — US disclosed
US-20210002240-A1 INHIBITORS OF PHOSPHOLIPID SYNTHESIS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-01-07 — — 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 (2 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-11702394-B2 Inhibitors of phospholipid synthesis and methods of use LCAT, AGPAT2, GNPAT ALDH1A1 2439/4885THRB 2349/4885KDM4E 2735/4885
US-20210002240-A1 INHIBITORS OF PHOSPHOLIPID SYNTHESIS AND METHODS OF USE LCAT, AGPAT2, GNPAT ALDH1A1 2439/4885THRB 2349/4885KDM4E 2735/4885

“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.

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