SCHEMBL20545941

SCHEMBL20545941

Cc1c(/C=C/C(=O)O)cccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NFKB1 P19838 1/20 0.51
CA4 P22748 1/20 0.51
PTGER1 P34995 3/20 0.50
PTGER3 P43115 3/20 0.50
PTGER2 P43116 3/20 0.50
PDCD1 Q15116 13/20 0.48
CD274 Q9NZQ7 13/20 0.48
PTGER4 P35408 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL28368822 1.00 CA1 (0.51) CA1CA2NFKB1CA4PTGER1
SCHEMBL8417756 0.89 BACE1 (0.48) CA1CA2NFKB1CA4PTGER1
SCHEMBL8417755 0.89 BACE1 (0.48) CA1CA2NFKB1CA4PTGER1
SCHEMBL29085632 0.86 PDCD1 (0.48) PDCD1CD274
SCHEMBL181054 0.84 PTGER3 (0.66) CA1CA2NFKB1CA4PTGER1
SCHEMBL2433472 0.84 PTGER3 (0.66) CA1CA2NFKB1CA4PTGER1
Hydrochloric Acid SCHEMBL11527565 0.82 PTGER3 (0.64) CA1CA2NFKB1CA4PTGER1
SCHEMBL30671346 0.82 PDCD1 (0.47) CA1CA2PDCD1CD274MAPT
SCHEMBL17802338 0.81 CA1 (0.53) CA1CA2NFKB1CA4PTGER1
SCHEMBL2303374 0.81 CA1 (0.53) CA1CA2NFKB1CA4PTGER1

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
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 CA1 1327/4885CA2 790/4885NFKB1 2365/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CA1 1327/4885CA2 790/4885NFKB1 2365/4885

“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.