SCHEMBL3157407

SCHEMBL3157407

CC(=O)c1ccc(F)cc1SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 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
SCHEMBL30016479 0.82 PTPRC (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL14011196 0.82 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL18769941 0.82 PTPRC (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL11724672 0.81 KMT2A (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL8484733 0.80 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL13647657 0.76 DAO (0.47) KMT2ASMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL11826469 0.75 FFAR1 (0.47) KMT2AMEN1SMN1; SMN2POLBCYP1A2
SCHEMBL30786238 0.75 PTPRG (0.44) KMT2AMEN1SMN1; SMN2L3MBTL1LMNA
SCHEMBL30786144 0.75 FFAR1 (0.47) KMT2AMEN1SMN1; SMN2POLBCYP1A2
SCHEMBL31190735 0.73 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1POLBCYP1A2

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
EP-1807393-B1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2010-03-31 EP disclosed
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists CASTRO PINEIRO JOSE LUIS 2009-07-02 US disclosed
US-7468393-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME LTD. (GB) 2008-12-23 US disclosed
US-20070203205-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2007-08-30 US disclosed
EP-1807393-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS Merck Sharp & Dohme Limited (GB) 2007-07-18 EP disclosed
US-7217740-B2 Diarylsulfones as 5-HT2A antagonists MERCK SHARP AND DOHME 2007-05-15 US disclosed
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-03-09 US disclosed
WO-2006021805-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO disclosed
US-6013839-A REACTING A 2,4-DIHALOACETOPHENONE WITH A THIOLATING AGENT UNDER ANHYDROUS CONDITIONS; EFFICIENCY; INTERMEDIATES OF HERBICIDES E.G., BENZAMIDE DERIVATIVES RHONE-POULENC AGRICULTURE LIMITED (GB) 2000-01-11 US disclosed
EP-0883605-A1 PROCESS FOR PREPARING 2-(THIOSUBSTITUTED)-4-HALOACETOPHENONES RHONE-POULENC AGRICULTURE LTD. (GB) 1998-12-16 EP disclosed
EP-0536512-B1 A method and intermediates for the preparation of 6-fluorobenzisothiazoles HOECHST MARION ROUSSEL INC (US) 1997-11-05 EP disclosed
WO-1997030026-A1 PROCESS FOR PREPARING 2-(THIOSUBSTITUTED)-4-HALOACETOPHENONES RHONE-POULENC AGRICULTURE LIMITED (GB) 1997-08-21 WO disclosed
EP-0536512-A1 A method and intermediates for the preparation of 6-fluorobenzisothiazoles HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-04-14 EP 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 (3 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-20070203205-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A KMT2A 1125/4885MEN1 1826/4885SMN1; SMN2 762/4885
US-20060052445-A1 Diarylsulfones as 5-HT2A antagonists HTR2A, HTR2B, HTR1A KMT2A 1125/4885MEN1 1826/4885SMN1; SMN2 762/4885
US-20090170824-A1 Diarylsulfones as 5-HT2A Antagonists HTR2A, HTR2B, HTR1A KMT2A 1125/4885MEN1 1826/4885SMN1; SMN2 762/4885

“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.