SCHEMBL4875953

SCHEMBL4875953

CCOC(=O)N1CCc2ssc(=S)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.49
MAPT P10636 7/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
ATM Q13315 2/20 0.43
LMNA P02545 2/20 0.43
PABPC1 P11940 1/20 0.43
NPSR1 Q6W5P4 6/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL11559664 0.71 MAPT (0.46) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL7989249 0.70 MAPT (0.46) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL568818 0.70 TSHR (0.47) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL623383 0.69 MAPT (0.52) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL976216 0.69 HDAC6 (0.55) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL3309431 0.69 HDAC6 (0.49) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL9737791 0.68 TSHR (0.42) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL10656068 0.68 HSP90AA1 (0.52) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL7975250 0.67 MAPT (0.42) RXFP1MAPTKDM4EGAASMN1; SMN2
SCHEMBL1713222 0.67 TSHR (0.57) MAPTKDM4EGAASMN1; SMN2ATM

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
US-20080058368-A1 4,5,6,7-Tetrahydro-[1,2]Dithiolo[4,3-C] Pyridine-3-Thione Compounds PROTHERAPEUTICS INC. (KR) 2008-03-06 US claimed
WO-2006080745-A1 NEW 4,5,6,7-TETRAHYDRO-[1,2]DITHIOLO[4,3-C]PYRIDINE-3-THIONE COMPOUNDS CJ CORPORATION (KR) 2006-08-03 WO claimed
US-7435819-B2 4,5,6,7-tetrahydro-[1,2]dithiolo[4,3-C] pyridine-3-thione compounds CJ CHEILJEDANG CORP. (KR) 2008-10-14 US disclosed
US-20080058368-A1 4,5,6,7-Tetrahydro-[1,2]Dithiolo[4,3-C] Pyridine-3-Thione Compounds PROTHERAPEUTICS INC. (KR) 2008-03-06 US disclosed
WO-2006080745-A1 NEW 4,5,6,7-TETRAHYDRO-[1,2]DITHIOLO[4,3-C]PYRIDINE-3-THIONE COMPOUNDS CJ CORPORATION (KR) 2006-08-03 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-20080058368-A1 4,5,6,7-Tetrahydro-[1,2]Dithiolo[4,3-C] Pyridine-3-Thione Compounds RPS6KA1, RPS6KA5, RPS6KA3 RXFP1 2426/4885MAPT 4014/4885KDM4E 2574/4885

“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.