SCHEMBL10168515

SCHEMBL10168515

NC(CCC(=O)Nc1cc(S(=O)(=O)O)ccc1Cl)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 12/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.48
LTA4H P09960 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL6004444 0.86 TDP1 (0.51) CASRALDH1A1MAPTLTA4H
SCHEMBL6004392 0.83 CASR (0.70) CASRLTA4H
SCHEMBL176722 0.81 CASR (0.65) CASRALDH1A1MAPTLTA4H
SCHEMBL11615880 0.79 LTA4H (0.68) CASRLTA4H
SCHEMBL6003045 0.78 LTA4H (0.55) CASRLTA4H
SCHEMBL30406248 0.78 MEN1 (0.62) LTA4H
SCHEMBL11613830 0.78 CASR (0.66) CASRLTA4H
SCHEMBL6004419 0.78 CASR (0.66) CASRLTA4H
SCHEMBL6005259 0.75 CASR (0.79) CASRLTA4H
SCHEMBL14471709 0.75 CASR (0.79) CASRLTA4H

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 CASR 150/4885ALDH1A1 796/4885MAPT 4181/4885

“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.