SCHEMBL658985

SCHEMBL658985

CC(=O)Nc1ccc(CCC(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.55
PTK2 Q05397 1/20 0.53
GAA P10253 2/20 0.48
CYP1A2 P05177 1/20 0.48
FFAR1 O14842 3/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NSD2 O96028 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
KEAP1 Q14145 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4550164 0.85 PTK2 (0.57) PTK2GAACYP1A2TSHRL3MBTL1
SCHEMBL660520 0.85 P4HTM (0.53) P4HTMGAAFFAR1FFAR4TSHR
SCHEMBL3981252 0.84 PTK2 (0.56) P4HTMPTK2GAACYP1A2TSHR
SCHEMBL30684531 0.80 P4HTM (0.48) P4HTMGAAFFAR1FFAR4TSHR
SCHEMBL30684527 0.80 P4HTM (0.48) P4HTMGAAFFAR1FFAR4TSHR
SCHEMBL2759546 0.80 PTK2 (0.59) PTK2GAACYP1A2L3MBTL1MAPT
SCHEMBL3306300 0.80 PTK2 (0.59) PTK2GAACYP1A2L3MBTL1MAPT
SCHEMBL25254389 0.79 PTK2 (0.50) PTK2GAACYP1A2L3MBTL1MAPT
SCHEMBL660113 0.79 P4HTM (0.53) P4HTMFFAR1FFAR4TSHRL3MBTL1
SCHEMBL9455571 0.79 PTK2 (0.62) PTK2GAACYP1A2L3MBTL1MAPT

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 8 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
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 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 (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 690/4885PTK2 2118/4885GAA 4003/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR P4HTM 690/4885PTK2 2118/4885GAA 4003/4885

“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.