SCHEMBL6004444

SCHEMBL6004444

NC(CCC(=O)Nc1cc(S(=O)(=O)O)ccc1O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CASR P41180 12/20 0.51
LTA4H P09960 2/20 0.47
GAA P10253 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL10168515 0.86 CASR (0.50) CASRLTA4HMAPTALDH1A1
SCHEMBL11615880 0.80 LTA4H (0.68) CASRLTA4HCA12CA1CA2
SCHEMBL11613830 0.79 CASR (0.66) CASRLTA4HCA1CA2
SCHEMBL6004419 0.79 CASR (0.66) CASRLTA4HCA1CA2
SCHEMBL6003044 0.78 LTA4H (0.56) CASRLTA4H
SCHEMBL6004392 0.77 CASR (0.70) CASRLTA4HCA1CA2CA9
SCHEMBL6005527 0.75 CASR (0.57) CASRLTA4H
SCHEMBL11335254 0.74 LTA4H (0.59) CASRLTA4HPOLBMAPTSMN1; SMN2
SCHEMBL17879755 0.73 TDP1 (0.49) TDP1GAAPOLBMAPTCA12
SCHEMBL30502422 0.73 LTA4H (0.65) TDP1CASRLTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281394-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-20130281394-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
WO-2012054530-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO 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-20130281394-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 TDP1 3786/4885CASR 150/4885LTA4H 686/4885

“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.