SCHEMBL1908884

SCHEMBL1908884

CC(C)(C)CCCS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.52
HSD11B1 P28845 3/20 0.49
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MMP3 P08254 2/20 0.44

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
SCHEMBL2451016 0.88 PSIP1 (0.56) PSIP1HSD11B1KEAP1NFE2L2ALDH1A1
SCHEMBL10482034 0.85 CA2 (0.56) PSIP1HSD11B1KEAP1NFE2L2ALDH1A1
SCHEMBL15803386 0.83 PSIP1 (0.43) PSIP1HSD11B1KEAP1NFE2L2ALDH1A1
SCHEMBL17249757 0.83 ALDH1A1 (0.71) ALDH1A1CYP3A4CYP2C9CYP2C19MMP8
SCHEMBL16788409 0.82 CHRM2 (0.42) PSIP1HSD11B1KEAP1NFE2L2MAPT
SCHEMBL14646692 0.81 PLCG1 (0.52) HSD11B1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19938034 0.81 GAA (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MMP8
SCHEMBL576918 0.81 KEAP1 (0.63) PSIP1HSD11B1KEAP1NFE2L2ALDH1A1
SCHEMBL10629823 0.81 PSIP1 (0.61) PSIP1HSD11B1KEAP1NFE2L2ALDH1A1
SCHEMBL2831871 0.81 KEAP1 (0.47) PSIP1HSD11B1KEAP1NFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710199-B Photooxidation reduction catalytic process 深圳湾实验室坪山生物医药研发转化中心 2024-06-28 CN disclosed
EP-4252848-A2 OXYSTEROLS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2023-10-04 EP disclosed
EP-3529257-B1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2023-05-10 EP disclosed
CN-115745836-A Method for inducing reaction of alkyl neopentyl benzene and capture reagent by photocatalyst 深圳湾实验室坪山生物医药研发转化中心 2023-03-07 CN disclosed
CN-115710199-A Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-24 CN disclosed
CN-113387837-B Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2023-02-21 CN disclosed
CN-113387837-A Photo-oxidation-reduction catalysis method 深圳湾实验室坪山生物医药研发转化中心 2021-09-14 CN disclosed
WO-2018075699-A1 OXYSTEROLS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2018-04-26 WO disclosed
US-20170322491-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION FOR LITHOGRAPHY CONTAINING HYDROLYZABLE SILANE HAVING HALOGEN-CONTAINING CARBOXYLIC ACID AMIDE GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-09 US disclosed
US-20170168397-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING HALOGENATED SULFONYLALKYL GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-15 US disclosed
US-20170153549-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING ORGANIC GROUP HAVING ALIPHATIC POLYCYCLIC STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 US disclosed
US-9290623-B2 Composition for forming silicon-containing resist underlayer film having cyclic diester group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-03-22 US disclosed
US-20150322212-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM HAVING CYCLIC DIESTER GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-12 US disclosed
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 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-20150322212-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM HAVING CYCLIC DIESTER GROUP ASH2L, SRRM2, CCNT1 PSIP1 2380/4885HSD11B1 546/4885KEAP1 4353/4885
US-20120015907-A1 Furopyridine compounds and uses thereof CYP3A5, QDPR, DPYD PSIP1 1432/4885HSD11B1 1902/4885KEAP1 1597/4885

“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.