SCHEMBL4772456

SCHEMBL4772456

C=Cc1ccc(CS(C)(=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.36
RCE1 Q9Y256 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
PSMD14 O00487 1/20 0.33
POLB P06746 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
CHRNA4 P43681 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
SCHEMBL17278189 0.83 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL29328357 0.82 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL8433473 0.82 ALDH1A1 (0.44) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL6204063 0.81 CYP2A6 (0.44) ALDH1A1RCE1MAPTLMNAKDM4E
SCHEMBL11832186 0.80 PTPN1 (0.40) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL8434939 0.79 TDP1 (0.50) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL965172 0.79 TDP1 (0.55) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL14536541 0.79 ALDH1A1 (0.46) ALDH1A1TDP1TSHRHDAC8MAPT
SCHEMBL7787743 0.79 TDP1 (0.41) ALDH1A1TDP1HDAC8LMNATAS1R3
SCHEMBL3424473 0.78 TDP1 (0.53) ALDH1A1TDP1TSHRHDAC8MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159582-A Polymer, method for producing same, resin composition, and electronic component 日本瑞翁株式会社 2024-06-07 CN disclosed
CN-117836339-A Resin composition 日本瑞翁株式会社 2024-04-05 CN disclosed
CN-116745332-A Resin composition 日本瑞翁株式会社 2023-09-12 CN disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885TDP1 1197/4885TSHR 1481/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885TDP1 326/4885TSHR 962/4885

“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.