SCHEMBL3967709

SCHEMBL3967709

O=S(=O)(c1ccc(F)cc1)n1ccc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.75
HTT P42858 3/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
ALDH1A1 P00352 1/20 0.75
LMNA P02545 1/20 0.75
HPGD P15428 1/20 0.75
TSHR P16473 1/20 0.75
L3MBTL1 Q9Y468 2/20 0.71
PKM P14618 1/20 0.71
ALDH3A1 P30838 2/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RAPGEF4 Q8WZA2 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50

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
SCHEMBL29558135 0.86 HTR6 (1.00) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL429849 0.86 HTR6 (1.00) HTR6HTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28794299 0.84 HTR6 (0.96) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL29414854 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL1673252 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL4862697 0.83 HTT (1.00) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL31663420 0.83 HTR6 (0.81) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL9587047 0.83 HTR6 (0.75) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL1203289 0.82 HTR6 (0.73) HTR6HTTMEN1KMT2AALDH1A1
SCHEMBL1413487 0.81 CXCR4 (0.56) HTR6HTTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
CN-107108512-A Therapeutic compound and application thereof 基因泰克公司 2017-08-29 CN disclosed
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 EP disclosed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
EP-1572197-B1 4- 1- (SULFONYL) -1H-INDOL-2-YL)-4- (HYDROXY) -CYCLOHEXA-2,5-DIENONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC AGENTS CANCER REC TECH LTD (GB) 2009-07-29 EP disclosed
CN-100363347-C 4-(1-(sulfonyl)-1H-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER REC TECH LTD (GB) 2008-01-23 CN disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-7307099-B2 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-11 US disclosed
US-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-05-11 US disclosed
CN-1717233-A 4-(1-(sulfonyl)-1H-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents CANCER REC TECH LTD (GB) 2006-01-04 CN 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-20060100265-A1 4-(1-(sulfonyl)-1h-indol-2-yl)-4-(hydroxy)-cyclohexa-2,5-dienone compounds and analogs thereof as therapeutic agents TXNRD1, TXNRD3, TXNRD2 HTR6 1460/4885HTT 1550/4885MEN1 4263/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 HTR6 3085/4885HTT 1408/4885MEN1 1807/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 HTR6 3085/4885HTT 1408/4885MEN1 1807/4885

“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.