SCHEMBL660113

SCHEMBL660113

CS(=O)(=O)Nc1ccc(CCC(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.53
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 5/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KDM4E B2RXH2 2/20 0.40
SLC22A12 Q96S37 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
KEAP1 Q14145 1/20 0.40
NR3C1 P04150 1/20 0.39

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
SCHEMBL12678548 0.81 KDM4E (0.44) FFAR4ALDH1A1CA2KDM4ELMNA
SCHEMBL27750054 0.80 KDM4E (0.42) ALDH1A1KDM4ELMNAMAPT
SCHEMBL658985 0.79 P4HTM (0.55) P4HTMFFAR1FFAR4ALDH1A1SLC22A12
SCHEMBL13662053 0.78 PTGS1 (0.46) ALDH1A1KDM4ELMNAL3MBTL1MAPT
SCHEMBL19822090 0.78 KDM4E (0.40) ALDH1A1KDM4ELMNAMAPT
SCHEMBL660520 0.77 P4HTM (0.53) P4HTMFFAR1FFAR4SLC22A12LMNA
SCHEMBL1877717 0.76 KDM4E (0.44) ALDH1A1CA1CA2KDM4ELMNA
SCHEMBL657740 0.76 ALDH1A1 (0.64) FFAR1FFAR4ALDH1A1NPSR1CA1
SCHEMBL12999502 0.75 CA1 (0.50) P4HTMCA1CA2KDM4ELMNA
SCHEMBL12315314 0.74 KDM4E (0.42) ALDH1A1KDM4ELMNAMAPT

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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 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 (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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR P4HTM 690/4885FFAR1 513/4885FFAR4 563/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR P4HTM 690/4885FFAR1 513/4885FFAR4 563/4885

“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.