SCHEMBL9917038

SCHEMBL9917038

O=C1/C(=C/c2ccccc2)SC(=S)N1c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DUSP22 Q9NRW4 9/20 0.77
KMT2A Q03164 6/20 0.75
MEN1 O00255 5/20 0.75
ALDH1A1 P00352 5/20 0.75
DUSP3 P51452 2/20 0.71
MAPT P10636 6/20 0.66
POLB P06746 2/20 0.66
KDM4E B2RXH2 1/20 0.66
THRB P10828 1/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CISD1 Q9NZ45 2/20 0.65
MAOA P21397 1/20 0.65
MAOB P27338 1/20 0.65
HTT P42858 1/20 0.64
LMNA P02545 1/20 0.59
OPRK1 P41145 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL10035996 1.00 DUSP22 (0.77) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL12123516 1.00 DUSP22 (0.77) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL10035969 0.90 MEN1 (0.73) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL6789390 0.87 DUSP22 (1.00) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL10491520 0.86 KMT2A (0.76) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL10491519 0.86 KMT2A (0.76) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL24217824 0.84 DUSP22 (1.00) DUSP22KMT2AMEN1DUSP3
SCHEMBL2403963 0.83 HSPD1 (0.81) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL2403957 0.83 HSPD1 (0.81) DUSP22KMT2AMEN1ALDH1A1DUSP3
SCHEMBL2403960 0.83 HSPD1 (0.81) DUSP22KMT2AMEN1ALDH1A1DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160330960-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-11-17 US disclosed
US-9439434-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-09-13 US disclosed
US-20160250194-A1 Methods of Making and Using Thioxothiazolidine and Rhodanine Derivatives as HIV-1 and JSP-1 Inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US disclosed
US-20140155261-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-06-05 US disclosed
US-20130253021-A1 Methods of Making and Using Thioxothiazolidine and Rhodanine Derivatives as HIV-1 and JSP-1 Inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2013-09-26 US disclosed
WO-2013142831-A1 METHODS OF MAKING AND USING THIOXOTHIAZOLIDINE AND RHODANINE DERIVATIVES AS HIV-1 AND JSP-1 INHIBITORS SOUTHERN METHODIST UNIVERSITY (US) 2013-09-26 WO disclosed
US-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 US disclosed
US-7235573-B2 Methods of treating secretory diarrhea using cystic fibrosis transmembrane conductance regulator protein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-26 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 (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-20160330960-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 DUSP22 2186/4885KMT2A 794/4885MEN1 2382/4885
US-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR DUSP22 4056/4885KMT2A 3208/4885MEN1 3994/4885
US-20130253021-A1 Methods of Making and Using Thioxothiazolidine and Rhodanine Derivatives as HIV-1 and JSP-1 Inhibitors TPMT, TASP1, RAET1L DUSP22 1548/4885KMT2A 2690/4885MEN1 3728/4885
US-20160250194-A1 Methods of Making and Using Thioxothiazolidine and Rhodanine Derivatives as HIV-1 and JSP-1 Inhibitors TPMT, TASP1, RAET1L DUSP22 1548/4885KMT2A 2690/4885MEN1 3728/4885
US-20140155261-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 DUSP22 2186/4885KMT2A 794/4885MEN1 2382/4885

“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.