SCHEMBL18756604

SCHEMBL18756604

CN1c2ccccc2CCS1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.46
CRY1 Q16526 1/20 0.46
CRY2 Q49AN0 1/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 4/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41
ALOX15 P16050 1/20 0.41
CCND1 P24385 1/20 0.41
NOTUM Q6P988 2/20 0.41
HSD17B3 P37058 1/20 0.40
DRD2 P14416 4/20 0.39
DRD5 P21918 3/20 0.39
DRD3 P35462 3/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
CHRM1 P11229 3/20 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
SCHEMBL16477918 0.89 NOTUM (0.44) PER2CRY1CRY2MEN1KMT2A
SCHEMBL20857619 0.80 PER2 (0.52) PER2CRY1CRY2MEN1KMT2A
SCHEMBL3319807 0.80 DRD4 (0.42) PER2CRY1CRY2MEN1KMT2A
SCHEMBL25431591 0.77 MEN1 (0.40) PER2CRY1CRY2MEN1KMT2A
SCHEMBL19080479 0.77 PER2 (0.43) PER2CRY1CRY2MEN1KMT2A
SCHEMBL25314670 0.75 DRD2 (0.45) DRD2DRD5DRD3DRD1DRD4
SCHEMBL4963960 0.75 SLC6A2 (0.49) PER2CRY1CRY2MEN1KMT2A
SCHEMBL31714475 0.75 HTR1A (0.41) KMT2AALDH1A1HSD17B3DRD2DRD1
SCHEMBL4963829 0.74 SLC6A2 (0.43) PER2CRY1CRY2MEN1KMT2A
SCHEMBL18195193 0.73 MAOA (0.53) KMT2ANOTUMHSD17B3DRD2DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476606-A Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2019-03-15 CN disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 PER2 3720/4885CRY1 4113/4885CRY2 4314/4885

“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.