SCHEMBL801935

SCHEMBL801935

Cc1ccc(C)c(S(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 3/20 0.45
KDM4E B2RXH2 1/20 0.45
F2 P00734 1/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
UBE2N P61088 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7112755 0.83 UBE2N (0.57) ALDH1A1TSHRGAAKMT2ASMN1; SMN2
SCHEMBL7185812 0.83 L3MBTL1 (0.48) ALDH1A1TSHRGAAL3MBTL1KMT2A
SCHEMBL25334167 0.82 ALDH1A1 (0.50) ALDH1A1TSHRGAAL3MBTL1KMT2A
SCHEMBL16712195 0.81 ALDH1A1 (0.49) ALDH1A1TSHRGAAL3MBTL1KMT2A
SCHEMBL822831 0.81 MAOA (0.46) ALDH1A1TSHRGAAL3MBTL1KMT2A
SCHEMBL4396839 0.81 L3MBTL1 (0.63) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL14212737 0.80 ALDH1A1 (0.44) ALDH1A1TSHRGAAKMT2ASMN1; SMN2
SCHEMBL29642997 0.79 KMT2A (0.49) ALDH1A1TSHRGAAL3MBTL1KMT2A
SCHEMBL742725 0.79 KMT2A (0.49) ALDH1A1TSHRGAAL3MBTL1KMT2A
SCHEMBL2641939 0.79 L3MBTL1 (0.41) ALDH1A1TSHRGAAL3MBTL1KMT2A

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892610-B1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE IN CLICK-REACTION SCRIPPS RESEARCH INST (US) 2023-08-16 EP disclosed
EP-3892610-A1 SULFUR (VI) FLUORIDE COMPOUNDS AND THEIR USE AS SCREENING AGENT The Scripps Research Institute (US) 2021-10-13 EP disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
EP-3151817-B1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF SCRIPPS RESEARCH INST (US) 2021-03-03 EP disclosed
US-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE 2017-07-13 US disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
WO-2017115137-A1 PROCESS FOR PREPARING 1,1,3-TRIOXO-1,2-BENZOTHIAZOLE-6-CARBOXAMIDE ADAMA AGAN LTD. (IL) 2017-07-06 WO disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROP, INC. (US) 2009-01-29 US disclosed
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROP, INC. (US) 2009-01-29 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
EP-1703905-B1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-11-12 EP disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-30 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-4386221-A Process for the preparation of aryl alkyl sulfones and aryl vinyl sulfones EASTMAN KODAK COMPANY (US) 1983-05-31 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 (7 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-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF CYP2F1, NAF1, CYP2S1 ALDH1A1 1201/4885TSHR 409/4885GAA 1325/4885
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 ALDH1A1 1275/4885TSHR 3404/4885GAA 774/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885TSHR 1602/4885GAA 4203/4885
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines IFNG, IRF3, IFNAR1 ALDH1A1 989/4885TSHR 4108/4885GAA 804/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 ALDH1A1 231/4885TSHR 3223/4885GAA 139/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885TSHR 4461/4885GAA 2713/4885
US-20080269200-A1 Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors NFKBIA, IKBKB, IDO2 ALDH1A1 3644/4885TSHR 4243/4885GAA 3658/4885

“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.