SCHEMBL1900103

SCHEMBL1900103

O=C(OCc1ccccc1)c1ccccc1SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 6/20 0.55
KMT2A Q03164 4/20 0.55
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
MAPK1 P28482 3/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL11362456 0.85 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1KMT2ASLC6A2
Ammonia Solution, Strong SCHEMBL11193904 0.85 KMT2A (0.59) ALDH1A1L3MBTL1KMT2AMAPK1TSHR
SCHEMBL27801165 0.83 KMT2A (0.56) ALDH1A1L3MBTL1KMT2AMAPK1MEN1
SCHEMBL8628655 0.83 POLB (0.65) ALDH1A1TDP1L3MBTL1KMT2AMAPK1
SCHEMBL24729103 0.83 L3MBTL1 (0.63) ALDH1A1TDP1L3MBTL1KMT2ASLC6A2
SCHEMBL24729150 0.81 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1KMT2ASLC6A2
SCHEMBL50441 0.81 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1KMT2ASLC6A2
SCHEMBL29388715 0.81 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1KMT2ASLC6A2
SCHEMBL1901284 0.80 PTPRG (0.67) ALDH1A1L3MBTL1KMT2AMAPK1MEN1
SCHEMBL11729716 0.80 KMT2A (0.64) ALDH1A1L3MBTL1KMT2AMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935825-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2011-05-03 US disclosed
US-7935825-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2011-05-03 US disclosed
EP-1436264-B9 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN INC (US) 2009-05-06 EP disclosed
EP-1436264-B9 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN INC (US) 2009-05-06 EP disclosed
EP-1436264-B1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN INC (US) 2008-12-31 EP disclosed
EP-1436264-B1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN INC (US) 2008-12-31 EP disclosed
US-20070219255-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain BURK ROBERT M 2007-09-20 US disclosed
US-20070219255-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain BURK ROBERT M 2007-09-20 US disclosed
US-7214678-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2007-05-08 US disclosed
US-7214678-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2007-05-08 US disclosed
US-20060217349-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2006-09-28 US disclosed
US-7098223-B2 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. (US) 2006-08-29 US disclosed
US-20050032746-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2005-02-10 US disclosed
US-6825221-B2 PROSTAGLANDIN INHIBITORS FOR TREATING RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS, POST-OPERATIVE PAIN, PAIN ASSOCIATED WITH DENTAL ALLERGAN, INC. 2004-11-30 US disclosed
EP-1436264-A1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN Allergan, Inc. (US) 2004-07-14 EP disclosed
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain ALLERGAN, INC. 2003-04-24 US disclosed
WO-2003033470-A1 ARYLSULFANYL AND HETEROARYLSULFANYL DERIVATIVES FOR TREATING PAIN ALLERGAN, INC. (US) 2003-04-24 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 (4 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-20070219255-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRL1, OPRK1, OPRD1 ALDH1A1 416/4885TDP1 4051/4885L3MBTL1 548/4885
US-20050032746-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRL1, OPRK1, OPRD1 ALDH1A1 416/4885TDP1 4051/4885L3MBTL1 548/4885
US-20030078236-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRD1, OPRK1, OPRL1 ALDH1A1 254/4885TDP1 3849/4885L3MBTL1 527/4885
US-20060217349-A1 Arylsulfanyl and heteroarylsulfanyl derivatives for treating pain OPRL1, OPRK1, OPRD1 ALDH1A1 416/4885TDP1 4051/4885L3MBTL1 548/4885

“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.