SCHEMBL18159701

SCHEMBL18159701

CC(=O)C1CC(NC(C)(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
BTK Q06187 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
SCHEMBL18159707 0.81 LMNA (0.41) EPHX2BTK
SCHEMBL25474795 0.81 LMNA (0.41) EPHX2BTK
SCHEMBL13592641 0.79 LMNA (0.40) BTK
SCHEMBL21452439 0.77 ATM (0.48) EPHX2
SCHEMBL25543746 0.77 CYP2C19 (0.37)
SCHEMBL20805540 0.76
SCHEMBL20805544 0.76
SCHEMBL20805536 0.76
SCHEMBL27422464 0.76 L3MBTL1 (0.38) EPHX2
SCHEMBL27420041 0.73 BTK (0.39) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 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 (4 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-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 EPHX2 3515/4885BTK 2533/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 EPHX2 3958/4885BTK 1468/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 EPHX2 2760/4885BTK 4551/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 EPHX2 4456/4885BTK 4495/4885

“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.