SCHEMBL8007465

SCHEMBL8007465

C=CCCNC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
HPGD P15428 3/20 0.60
ALDH1A1 P00352 1/20 0.60
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 2/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
EPHX2 P34913 1/20 0.54
PRSS1 P07477 1/20 0.54
CTSG P08311 1/20 0.54
CTRB1 P17538 1/20 0.54
CMA1 P23946 1/20 0.54
HDAC3 O15379 3/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53

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
SCHEMBL31267580 0.89 NPC1 (0.60) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL3185081 0.85 SMN1; SMN2 (0.51) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL12833023 0.84 SMN1; SMN2 (0.73) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL28007671 0.83 LMNA (0.62) LMNAHPGDGAASMN1; SMN2POLB
SCHEMBL29123079 0.82 CYP1A2 (0.62) LMNAALDH1A1GAASMN1; SMN2NPC1
SCHEMBL4347910 0.82 SMN1; SMN2 (0.44) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL31414540 0.82 SMN1; SMN2 (0.54) LMNAHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL3192014 0.82 LMNA (0.77) LMNAHPGDGAASMN1; SMN2POLB
SCHEMBL9191272 0.81 LMNA (0.61) LMNAHPGDALDH1A1GAASMN1; SMN2
SCHEMBL83922 0.81 HPGD (0.86) LMNAHPGDALDH1A1GAASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930488-A Alkyl trifluoromethyl thioether compound and synthesis method thereof 常州大学 2025-05-06 CN disclosed
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
CN-1318054-A Novel compounds ASTRA PHARMA PROD (SE) 2001-10-17 CN disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed
US-4348427-A Coating method and composition ANIC, S.P.A. (IT) 1982-09-07 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 (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-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF CYP4F3, GTF3C3, GTF3C4 LMNA 2866/4885HPGD 4385/4885ALDH1A1 3156/4885

“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.