SCHEMBL31643533

SCHEMBL31643533

CCOC(=S)Sc1cc(OC)cc(C)c1C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ KMT2A Q03164 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ ACHE P22303 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35

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
SCHEMBL31643871 0.77 CYP3A4 (0.63) CYP3A4HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11067587 0.74 CYP3A4 (0.79) CYP3A4HPGDKDM4EKMT2APOLB
SCHEMBL12565531 0.71 ALDH1A1 (0.45) CYP3A4HPGDHDAC3HDAC4HDAC1
SCHEMBL10662864 0.71 HPGD (0.55) CYP3A4HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL31395140 0.71 KDM4E (0.48) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL14097986 0.70 HDAC3 (0.44) CYP3A4HPGDHDAC3HDAC4HDAC1
SCHEMBL19407746 0.70 HDAC3 (0.48) HPGDHDAC3HDAC4HDAC1HDAC7
SCHEMBL5313651 0.69 CYP3A4 (0.69) CYP3A4HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL950536 0.69 CYP3A4 (1.00) CYP3A4HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL2027170 0.69 CYP3A4 (0.69) CYP3A4HPGDKDM4EKMT2ASMN1; SMN2

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-20250228811-A1 Triester Compounds And Methods Of Use Thereof LIFEMINE THERAPEUTICS, INC. 2025-07-17 — — US disclosed
WO-2025137071-A2 TRIESTER COMPOUNDS AND METHODS OF USE THEREOF LIFEMINE THERAPEUTICS, INC. (US) 2025-06-26 — — 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-20250228811-A1 Triester Compounds And Methods Of Use Thereof CYP46A1, CYP17A1, CYP27A1 CYP3A4 104/4885HPGD 815/4885HDAC3 635/4885

“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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