SCHEMBL12601005

SCHEMBL12601005

COC(=O)C(N)CCC(N)=S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.40
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC1A1 P43005 2/20 0.36
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GSR P00390 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRIK1 P39086 1/20 0.34
GRM5 P41594 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 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
SCHEMBL10045846 0.84 LTA4H (0.40) LTA4HALOX15BLMPMP22KMT2A
SCHEMBL10192702 0.83 ALOX15 (0.56) LTA4HALOX15BLMPMP22KMT2A
SCHEMBL716803 0.83 ALOX15 (0.56) LTA4HALOX15BLMPMP22KMT2A
SCHEMBL321431 0.83 ALOX15 (0.56) LTA4HALOX15BLMPMP22KMT2A
SCHEMBL2082961 0.83 ALOX15 (0.56) LTA4HALOX15BLMPMP22KMT2A
Hydrochloric Acid SCHEMBL595131 0.82 ALOX15 (0.54) LTA4HALOX15BLMPMP22KMT2A
Hydrochloric Acid SCHEMBL2083204 0.82 ALOX15 (0.54) LTA4HALOX15BLMPMP22KMT2A
SCHEMBL11776470 0.80 SMN1; SMN2 (0.42) LTA4HSLC1A1CA1CA2CA14
SCHEMBL595358 0.79 LTA4H (0.41) LTA4HALOX15BLMPMP22KMT2A
SCHEMBL131050 0.79 SLC1A1 (0.55) LTA4HALOX15BLMPMP22KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883645-B1 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC (CA) 2011-06-29 EP disclosed
US-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid ANTIBE THERAPEUTICS INC. (CA) 2007-08-23 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 (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-20070197479-A1 Derivatives of 4- or 5-aminosalicylic acid CBS, SI, APC LTA4H 41/4885ALOX15 98/4885BLM 3070/4885

“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.