SCHEMBL2958188

SCHEMBL2958188

O=C(C[S+]([O-])Cc1ccc2oc3ccc(F)cc3c2c1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
PARP1 P09874 6/20 0.37
POLB P06746 1/20 0.34
NQO1 P15559 1/20 0.34
TDO2 P48775 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
NTRK1 P04629 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL2964459 0.88 SCN5A (0.40) DPP4NQO1KMT2A
SCHEMBL2965247 0.79 NQO1 (0.37) POLBNQO1KMT2ASLC6A4PIM1
SCHEMBL2965869 0.74 DPP4 (0.36) DPP4PARP1
SCHEMBL2954882 0.73 ALDH1A1 (0.50) PARP1
SCHEMBL2964818 0.73 KDM4E (0.51) POLBKMT2A
SCHEMBL2960783 0.73 HTR2A (0.47) POLBKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2414782 0.69 KMT2A (0.41) TPSAB1TPSD1TPSG1KMT2AKCNH2
SCHEMBL8908929 0.67 POLB (0.67) DPP4POLBKMT2A
SCHEMBL2958961 0.66 LMNA (0.49) KMT2A
Hydrochloric Acid SCHEMBL21681605 0.66 POLB (0.65) DPP4POLBKMT2A

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 DPP4 3762/4885PARP1 4409/4885POLB 3139/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A DPP4 3762/4885PARP1 4409/4885POLB 3139/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A DPP4 3762/4885PARP1 4409/4885POLB 3139/4885

“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.