SCHEMBL2958263

SCHEMBL2958263

O=C(CSCc1cccc2c1-c1ccccc1C2)N1CCN(CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 3/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HKDC1 Q2TB90 1/20 0.42
RAB9A P51151 4/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL2957110 0.79 TSHR (0.44) TSHRMAPTALDH1A1POLBDRD2
SCHEMBL2954850 0.77 CYP1A2 (0.52) MAPTALDH1A1POLBLMNADRD2
SCHEMBL2313142 0.70 DRD2 (0.46) TSHRMAPTALDH1A1POLBLMNA
SCHEMBL7189694 0.68 DRD3 (0.51) TSHRMAPTALDH1A1POLBLMNA
SCHEMBL14218006 0.67 CYP1A2 (0.56) MAPTALDH1A1POLBLMNAGAA
SCHEMBL31420194 0.67 TSHR (0.97) TSHRMAPTALDH1A1POLBKDM4E
SCHEMBL2965407 0.67 DRD2 (0.48) TSHRMAPTALDH1A1POLBLMNA
SCHEMBL7289040 0.65 SIGMAR1 (0.69) TSHRMAPTALDH1A1LMNARAB9A
SCHEMBL9940488 0.65 AKR1B1 (0.47) TSHRALDH1A1POLBLMNAGAA
SCHEMBL4382764 0.65 RAB9A (0.57) TSHRMAPTALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A TSHR 43/4885MAPT 1232/4885ALDH1A1 2457/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A TSHR 43/4885MAPT 1232/4885ALDH1A1 2457/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A TSHR 43/4885MAPT 1232/4885ALDH1A1 2457/4885

“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.