SCHEMBL6002849

SCHEMBL6002849

CCCCC[S+]([O-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
LTA4H P09960 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35
DNM1 Q05193 1/20 0.35
PCSK9 Q8NBP7 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EPHX2 P34913 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17817574 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL27598273 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL7329821 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL587114 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL9815169 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL5073895 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL10357516 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL12040835 0.98 CES2 (0.41) CES2CES1SIGMAR1TP53TSHR
SCHEMBL9760714 0.94 CES2 (0.37) CES2CES1LTA4HSIGMAR1TP53
SCHEMBL779932 0.94 CES2 (0.37) CES2CES1LTA4HSIGMAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754833-A Synthesis method of aryl benzyl bromosulfoxide alkylation 南京工业大学 2024-10-11 CN disclosed
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 US disclosed
US-9505859-B2 Process for producing polydienes BRIDGESTONE CORPORATION (JP) 2016-11-29 US disclosed
CN-104039843-B Prepare the method for polydiene BRIDGESTONE CO.,LTD. (JP) 2016-05-18 CN disclosed
EP-2780381-B1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORP (JP) 2015-10-07 EP disclosed
US-20140303327-A1 Process For Producing Polydienes BRIDGESTONE CORPORATION (JP) 2014-10-09 US disclosed
EP-2780381-A1 PROCESS FOR PRODUCING POLYDIENES Bridgestone Corporation (JP) 2014-09-24 EP disclosed
CN-104039843-A Process For Producing Polydienes BRIDGESTONE CORP 2014-09-10 CN disclosed
WO-2013075085-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2013-05-23 WO disclosed
US-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
US-4476929-A Sulfoxide cosurfactants in enhanced oil recovery processes PHILLIPS PETROLEUM COMPANY (US) 1984-10-16 US 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 (2 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-20130001472-A1 THIN FILM AND COMPOUND USED IN THE SAME NR2E3, NR3C1, NR0B2 CES2 3551/4885CES1 3488/4885LTA4H 3467/4885
US-20170182009-A1 SUBSTITUTED BENZOXAZOLONE DERIVATIVES AS ACID CERAMIDASE INHIBITORS, AND THEIR USE AS MEDICAMENTS ASAH1, ASAH2, ACER2 CES2 64/4885CES1 30/4885LTA4H 175/4885

“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.