SCHEMBL2956906

SCHEMBL2956906

O=C(O)CSCc1ccc2oc3ccccc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HPGD P15428 4/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 2/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
KEAP1 Q14145 1/20 0.43
BCAT1 P54687 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2965345 0.89 CYP1A2 (0.51) LMNAHPGDALDH1A1GAACYP1A2
SCHEMBL2954386 0.85 ALDH1A1 (0.47) LMNAHPGDALDH1A1GAACYP1A2
SCHEMBL2965489 0.84 ALDH1A1 (0.47) HPGDALDH1A1GAACYP1A2POLB
SCHEMBL2958606 0.84 POLB (0.46) LMNAHPGDALDH1A1GAACYP1A2
SCHEMBL2954335 0.83 GABRP (0.50) LMNAHPGDALDH1A1GAACYP1A2
SCHEMBL9367063 0.80 LMNA (0.57) LMNAHPGDALDH1A1GAACYP1A2
SCHEMBL30306575 0.80 LMNA (0.57) LMNAHPGDALDH1A1GAACYP1A2
SCHEMBL4856992 0.76 GGPS1 (0.54) HPGDALDH1A1GAACYP1A2POLB
SCHEMBL23085112 0.75 CYP1A2 (0.55) LMNAHPGDALDH1A1GAACYP1A2
SCHEMBL6644867 0.74 LMNA (0.54) LMNAHPGDALDH1A1CYP1A2CYP2D6

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 9 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
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP 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
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO 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 LMNA 4833/4885HPGD 3681/4885ALDH1A1 2457/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A LMNA 4833/4885HPGD 3681/4885ALDH1A1 2457/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A LMNA 4833/4885HPGD 3681/4885ALDH1A1 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.