SCHEMBL3070804

SCHEMBL3070804

CC(=O)OCCc1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 5/20 0.49
TAAR1 Q96RJ0 1/20 0.46
CYP2C19 P33261 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL10341120 0.88 NPC1 (0.63) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL22691765 0.85 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL28860065 0.84 NPC1 (0.54) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL10744349 0.83 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL9075962 0.83 MAPT (0.47) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL27683910 0.83 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL20809605 0.83 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL7658914 0.82 POLB (0.57) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL8684761 0.82 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1ALDH1A1POLBTSHR
SCHEMBL2590383 0.81 NPC1 (0.56) SMN1; SMN2L3MBTL1ALDH1A1POLBNPC1

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-113292576-B Triphenylamine-based photo-thermal small molecule and preparation method and application thereof 山西大学 2023-05-30 CN claimed
CN-113292576-A Triphenylamine-based photo-thermal small molecule and preparation method and application thereof 山西大学 2021-08-24 CN claimed
CN-113292576-B Triphenylamine-based photo-thermal small molecule and preparation method and application thereof 山西大学 2023-05-30 CN disclosed
CN-113292576-A Triphenylamine-based photo-thermal small molecule and preparation method and application thereof 山西大学 2021-08-24 CN disclosed
CN-103387583-B Diaryl simultaneously [a, g] quinolizine class compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2018-04-13 CN disclosed
CN-103387583-A Diaryl [a, g] quinolizidine compound, preparation method thereof, pharmaceutical composition, and uses thereof SHANGHAI INST MATERIA MEDICA 2013-11-13 CN disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
CN-1938273-B Tetrahydrocarbazoles and derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
EP-1917269-B1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMA (US) 2011-10-26 EP disclosed
US-20100267774-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-10-21 US disclosed
US-20100267774-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-10-21 US disclosed
EP-2220044-A1 P38 MAP KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2010-08-25 EP disclosed
CN-101490003-A New alkyl esters of cyclic amino alcohols with muscarinic m3 receptor antagonist activity, useful for treating e.g. chronic bronchial obstruction, asthma and overactive bladder ASTRAZENECA AB (SE) 2009-07-22 CN disclosed
WO-2009060160-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2009-05-14 WO disclosed
WO-2009060160-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2009-05-14 WO disclosed
CN-1938273-A Tetrahydrocarbazoles and derivatives HOFFMANN LA ROCHE (CH) 2007-03-28 CN disclosed
CN-1205198-C Cyclic ketone derivative and pharmaceutical use thereof TORAY INDUSTRIES (JP) 2005-06-08 CN disclosed
CN-1242770-A Cyclic ketone derivative and pharmaceutical use thereof TORAY INDUSTRIES (JP) 2000-01-26 CN disclosed
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed
EP-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 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 (1 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-20100267774-A1 P38 MAP KINASE INHIBITORS MAPK1, MAPK3, MAPK12 SMN1; SMN2 3961/4885L3MBTL1 2188/4885ALDH1A1 979/4885

“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.