SCHEMBL10045844

SCHEMBL10045844

CC(=S)CCC(C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
GABRR1 P24046 2/20 0.50
LTA4H P09960 1/20 0.44
BLM P54132 1/20 0.43
ACE2 Q9BYF1 1/20 0.41
LMNA P02545 1/20 0.37
NAALAD2 Q9Y3Q0 3/20 0.35
TBXAS1 P24557 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34

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
SCHEMBL12040134 0.80 CYP1A2 (0.68) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL2352613 0.80 CYP1A2 (0.68) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL12356356 0.80 CYP1A2 (0.68) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL12601003 0.79 CYP1A2 (0.60) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL5139179 0.79 GABRR1 (0.72) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL16425734 0.78 CYP1A2 (0.65) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL28750 0.77 CYP1A2 (1.00) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL791764 0.77 CYP1A2 (1.00) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL7321898 0.77 CYP1A2 (1.00) CYP1A2GABRR1LTA4HBLMACE2
SCHEMBL9816427 0.76 CYP1A2 (0.62) CYP1A2GABRR1LTA4HBLMACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114858-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-8114857-B2 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2012-02-14 US disclosed
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-06-02 US disclosed
US-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC. (CA) 2011-04-28 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-20110098257-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC CYP1A2 1062/4885GABRR1 1336/4885LTA4H 41/4885
US-20110130368-A1 DERIVATIVES OF 4- OR 5-AMINOSALICYLIC ACID CBS, SI, APC CYP1A2 1062/4885GABRR1 1336/4885LTA4H 41/4885

“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.