SCHEMBL2966895

SCHEMBL2966895

O=C(O)CSC(c1scc2ccccc12)c1scc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
FFAR1 O14842 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CXCL12 P48061 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
CDC25B P30305 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL656968 0.73 GABBR2 (0.41) KMT2AMEN1ALDH1A1FFAR1POLB
SCHEMBL9199488 0.71 GABBR2 (0.54) KMT2AMEN1CYP1A2HPGDTSHR
SCHEMBL11190782 0.70 AKR1B1 (0.45) KMT2AMEN1CYP1A2ALDH1A1POLB
SCHEMBL2577670 0.70 SLC6A3 (0.65) CYP1A2ALKBH5ALDH1A1FFAR1TSHR
SCHEMBL11203386 0.70 POLB (0.41) KMT2AMEN1ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL2577794 0.69 SLC6A3 (0.62) CYP1A2ALKBH5ALDH1A1FFAR1TSHR
SCHEMBL7429598 0.68 TDP1 (0.50) KMT2AMEN1CYP1A2ALDH1A1POLB
SCHEMBL10605324 0.68 HSD17B10 (0.38) CYP1A2ALDH1A1TSHRTDP1KDM4E
SCHEMBL11078456 0.68 MEN1 (0.40) KMT2AMEN1CYP1A2ALDH1A1FFAR1
SCHEMBL11486005 0.68 CYP2D6 (0.38) KMT2AMEN1CYP1A2ALDH1A1HPGD

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 KMT2A 1455/4885MEN1 3887/4885CYP1A2 484/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A KMT2A 1455/4885MEN1 3887/4885CYP1A2 484/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A KMT2A 1455/4885MEN1 3887/4885CYP1A2 484/4885

“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.