SCHEMBL20546249

SCHEMBL20546249

COc1ccc(-c2cccc([C@@H](N)CC(=O)O)c2)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 19/20 0.63
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2E1 P05181 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP4B1 P13584 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP3A5 P20815 1/20 0.56
CYP2A7 P20853 1/20 0.56
CYP3A7 P24462 1/20 0.56
CYP2F1 P24903 1/20 0.56
CYP2C18 P33260 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP2J2 P51589 1/20 0.56
CYP4F2 P78329 1/20 0.56
CYP4F8 P98187 1/20 0.56

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
SCHEMBL20546250 1.00 CTSA (0.63) CTSACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL20546206 0.91 CTSA (0.63) CTSA
SCHEMBL20546204 0.91 CTSA (0.63) CTSA
SCHEMBL20546324 0.86 CTSA (0.61) CTSA
SCHEMBL20546326 0.86 CTSA (0.61) CTSA
SCHEMBL30541318 0.86 CTSA (0.54) CTSACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL28368831 0.86 CTSA (0.54) CTSACYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL20546308 0.86 CTSA (0.53) CTSA
SCHEMBL20546306 0.86 CTSA (0.53) CTSA
SCHEMBL20546225 0.85 CTSA (0.59) CTSA

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 CTSA 2240/4885CYP1A1 1825/4885CYP1A2 1973/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885CYP1A1 1825/4885CYP1A2 1973/4885

“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.