SCHEMBL5572911

SCHEMBL5572911

C=Cc1ccc(SC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TSHR P16473 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33

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
SCHEMBL13446220 0.83 MAPT (0.40) ALDH1A1TDP1L3MBTL1MAPTLMNA
SCHEMBL14341653 0.82 HPGD (0.46) ALDH1A1L3MBTL1MAPTLMNAHPGD
SCHEMBL4260934 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL10633601 0.79 ALDH1A1 (0.43) ALDH1A1TDP1TAS1R3TAS1R1TSHR
SCHEMBL6038269 0.76 HPGD (0.38) ALDH1A1L3MBTL1MAPTLMNAHPGD
SCHEMBL14367054 0.75 L3MBTL1 (0.41) ALDH1A1L3MBTL1MAPTLMNAHPGD
SCHEMBL23188557 0.74 ALDH1A1 (0.37) ALDH1A1TDP1TAS1R3TAS1R1HDAC8
SCHEMBL24306252 0.74 NPC1 (0.52) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL6208993 0.73 NR1H2 (0.48) ALDH1A1TSHRL3MBTL1MAPTLMNA
SCHEMBL7518002 0.73 MAPT (0.50) ALDH1A1TDP1L3MBTL1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226906-B2 Cyclosporin analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA, INC. (US) 2007-06-05 US disclosed
WO-2006023452-A2 CYCLOSPORIN ANALOGS FOR THE TREATMENT OF IMMUNOREGULATORY DISORDERS AND RESPIRATORY DISEASES ARRAY BIOPHARMA INC. (US) 2006-03-02 WO disclosed
US-20060035822-A1 Cyclosporin analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-02-16 US disclosed
US-20060035821-A1 Cyclosporin analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. 2006-02-16 US disclosed
EP-0271307-B1 METHOD FOR PRODUCING ALKENYLTHIOPHENOLS AND THEIR ESTERS HOECHST CELANESE CORPORATION (US) 1992-01-02 EP disclosed
EP-0396413-A2 Copolymers of P-mercaptostyrene and its esters HOECHST CELANESE CORPORATION (US) 1990-11-07 EP disclosed
US-4929694-A COPOLYMERS WITH STYRENE, N-METHYL MALEIMIDE, SEQUESTERING HOECHST CELANESE CORPORATION (US) 1990-05-29 US disclosed
US-4794205-A Method for producing alkenylthiophenols and their esters HOECHST CELANESE CORPORATION (US) 1988-12-27 US disclosed
EP-0271307-A2 Method for producing alkenylthiophenols and their esters HOECHST CELANESE CORPORATION (US) 1988-06-15 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 (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-20060035821-A1 Cyclosporin analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, CHP1, IL2 ALDH1A1 3651/4885TDP1 2616/4885TAS1R3 3539/4885
US-20060035822-A1 Cyclosporin analogs for the treatment of immunoregulatory disorders and respiratory diseases TSLP, CHP1, IL2 ALDH1A1 3651/4885TDP1 2616/4885TAS1R3 3539/4885

“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.