SCHEMBL1979458

SCHEMBL1979458

O=S(=O)(O)c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.44
NT5E P21589 1/20 0.44
SOS1 Q07889 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 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
SCHEMBL16341836 0.98 TDP1 (0.47) TDP1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL16341517 0.98 TDP1 (0.47) TDP1KMT2AALDH1A1HSD17B10LMNA
Hydrochloric Acid SCHEMBL27626352 0.98 TDP1 (0.47) TDP1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL10423507 0.84 ALDH1A1 (0.55) TDP1ALDH1A1HSD17B10LMNATSHR
SCHEMBL5126741 0.82 ALDH1A1 (0.44) TDP1ALDH1A1HSD17B10LMNATSHR
SCHEMBL152364 0.82 CA2 (0.46) TDP1ALDH1A1HSD17B10LMNATSHR
SCHEMBL12719859 0.82 ALDH1A1 (0.59) TDP1ALDH1A1HSD17B10LMNATSHR
SCHEMBL6763102 0.80 MEN1 (0.54) KMT2AALDH1A1HSD17B10LMNASOS1
SCHEMBL13751192 0.80 TSHR (0.54) KMT2AALDH1A1HSD17B10LMNATSHR
SCHEMBL3163675 0.80 HDAC1 (0.43) TDP1ALDH1A1HSD17B10LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115103850-A 2-methoxyestradiol derivatives and medical use thereof 韩国巴斯德研究所 2022-09-23 CN claimed
EP-3191483-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-07-19 EP disclosed
WO-2016037591-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-17 WO disclosed
EP-2509960-A1 TGR5 AGONISTS Exelixis, Inc. (US) 2012-10-17 EP disclosed
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
CN-102482197-A Process for producing diquaternary ammonium salt and novel intermediate WAKO PURE CHEM IND LTD 2012-05-30 CN disclosed
WO-2011071565-A1 TGR5 AGONISTS EXELIXIS, INC. (US) 2011-06-16 WO disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
CN-101534811-A Compounds with medicinal effects due to interaction with the glucocorticoid receptor ORGANON NV (NL) 2009-09-16 CN disclosed
CN-101313246-A Radiation-sensitive resin composition JSR CORP (JP) 2008-11-26 CN disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7303852-B2 Photoacid generating compounds, chemically amplified positive resist materials, and pattern forming method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-12-04 US disclosed
WO-2007071638-A1 COMPOUNDS WITH MEDICINAL EFFECTS DUE TO INTERACTION WITH THE GLUCOCORTICOID RECEPTOR N.V. ORGANON (NL) 2007-06-28 WO disclosed
US-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor N.V. ORGANON (NL) 2007-06-28 US disclosed
US-7105267-B2 Resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-09-12 US disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-20030235779-A1 Photoacid generating compounds, chemically amplified positive resist materials, and pattern forming method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-12-25 US disclosed
US-20030207201-A1 Photoacid generating compounds, chemically amplified positive resist materials, and pattern forming method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-11-06 US disclosed
US-20030113659-A1 Resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2003-06-19 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-20070149577-A1 Compounds with medicinal effects due to interaction with the glucocorticoid receptor NR3C1, NR3C2, MC2R TDP1 3950/4885KMT2A 2785/4885ALDH1A1 1050/4885
US-20030207201-A1 Photoacid generating compounds, chemically amplified positive resist materials, and pattern forming method ASIC1, PARG, EEF1A2 TDP1 2864/4885KMT2A 161/4885ALDH1A1 2737/4885

“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.