SCHEMBL3972685

SCHEMBL3972685

CC(=S)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8762577 0.83 TAS2R38 (0.42) TSHRSMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL8256708 0.81 TSHR (0.47) TSHRACHESMN1; SMN2ALDH1A1POLB
SCHEMBL1029641 0.79 HPGD (0.47) TSHRACHESMN1; SMN2ALDH1A1POLB
SCHEMBL31135508 0.79 HPGD (0.47) TSHRACHESMN1; SMN2ALDH1A1POLB
SCHEMBL39369 0.78 TSHR (0.50) TSHRACHESMN1; SMN2ALDH1A1POLB
SCHEMBL2451836 0.78 TSHR (0.50) TSHRACHESMN1; SMN2ALDH1A1POLB
SCHEMBL7346004 0.77 TSHR (0.43) TSHRACHESMN1; SMN2ALDH1A1POLB
SCHEMBL5426379 0.77 TSHR (0.43) TSHRACHESMN1; SMN2ALDH1A1POLB
Hydrochloric Acid SCHEMBL10333053 0.77 MAOA (0.47) TSHRACHESMN1; SMN2ALDH1A1POLB
SCHEMBL7442372 0.77 TSHR (0.43) TSHRACHESMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed
US-7566737-B2 Combinations of substituted 1,3-diphenylprop-2-en-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2009-07-28 US disclosed
US-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients GENFIT (FR) 2007-02-08 US disclosed
EP-0019450-B1 PYRIMIDINE DERIVATIVES AND THEIR PRODUCTION AND AGRICULTURAL USES Takeda Chemical Industries, Ltd. (JP) 1983-02-23 EP disclosed
EP-0019450-A1 Pyrimidine derivatives and their production and agricultural uses Takeda Chemical Industries, Ltd. (JP) 1980-11-26 EP 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-20070032543-A1 Combinations of substituted 1,3-diphenylprop-2-EN-1-one derivatives with other therapeutically active ingredients PSEN1, BACE1, PSEN2 TSHR 4430/4885ACHE 472/4885SMN1; SMN2 113/4885

“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.