SCHEMBL1617034

SCHEMBL1617034

CS(=O)(=O)O.OCc1cccs1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 1/20 0.44
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 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
SCHEMBL93009 0.85
SCHEMBL4780885 0.85 SMN1; SMN2 (0.49) POLBHTTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL15548285 0.83
SCHEMBL29688205 0.83
SCHEMBL28469144 0.83
SCHEMBL27486778 0.82 TAAR1 (0.48) POLBHTTMEN1KMT2ALMNA
Ethylene SCHEMBL27825937 0.81
Formamide SCHEMBL9014785 0.79 POLB (0.48) POLBHTTMEN1KMT2ALMNA
Dimethylformamide SCHEMBL27604768 0.77 RIPK1 (0.43) POLBHTTALDH1A1HPGDSMN1; SMN2
Thiophene SCHEMBL27588267 0.77 DPP4 (0.46) POLBHTTKMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776971-B2 Opioid and opioid-like compounds and uses thereof TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2017-10-03 US disclosed
EP-2987788-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF Taiwanj Pharmaceuticals Co., Ltd. (TW) 2016-02-24 EP disclosed
EP-1506174-B1 USE OF NALTREXONE FOR TREATING KIDNEY AND LIVER DAMAGE TAIWANJ PHARMACEUTICALS CO LTD (TW) 2015-09-30 EP disclosed
US-8404706-B2 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. (US) 2013-03-26 US disclosed
US-20120114599-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKEN BIOSCIENCES, INC. 2012-05-10 US disclosed
US-20110243889-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKEN BIOSCIENCES, INC. 2011-10-06 US disclosed
US-8017622-B2 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. (US) 2011-09-13 US disclosed
US-7923454-B2 morphinan's such as 3-methoxy-17-allylmorphinan hydrobromide used for preventing or treating viral infections, septic shock, organ damage, neurological and cardiovascular disorders, neurodegenerative diseases and cancers JENKEN BIOSCIENCES, INC. (US) 2011-04-12 US disclosed
US-20090169508-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKIN BIOSCIENCES, INC. 2009-07-02 US disclosed
US-7501433-B2 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. (US) 2009-03-10 US disclosed
US-20050261329-A1 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. 2005-11-24 US disclosed
US-20050107415-A1 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. 2005-05-19 US disclosed
EP-1506174-A2 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF Jenken Biosciences, Inc. (US) 2005-02-16 EP disclosed
WO-2003097608-A2 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKEN BIOSCIENCES, INC. (US) 2003-11-27 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 (5 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-20120114599-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF OPRK1, OPRL1, OPRM1 POLB 4178/4885HTT 3100/4885MEN1 4871/4885
US-20090169508-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF OPRK1, OPRL1, OPRM1 POLB 4178/4885HTT 3100/4885MEN1 4871/4885
US-20050107415-A1 Opioid and opioid-like compounds and uses thereof OPRL1, OPRK1, OPRM1 POLB 4528/4885HTT 3658/4885MEN1 4869/4885
US-20050261329-A1 Opioid and opioid-like compounds and uses thereof OPRK1, OPRL1, OPRM1 POLB 4178/4885HTT 3100/4885MEN1 4871/4885
US-20110243889-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 POLB 4528/4885HTT 3658/4885MEN1 4869/4885

“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.