SCHEMBL20546554

SCHEMBL20546554

COc1cccc(-c2cc(C(N)CC(=O)O)ccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.53
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 3/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSA P10619 7/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
GNA15 P30679 1/20 0.45
PPARD Q03181 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL20546551 1.00 FFAR1 (0.53) FFAR1AKR1C3AKR1C2KMT2ASMN1; SMN2
SCHEMBL20546306 0.92 CTSA (0.53) FFAR1KMT2ASMN1; SMN2CTSAPPARD
SCHEMBL20546308 0.92 CTSA (0.53) FFAR1KMT2ASMN1; SMN2CTSAPPARD
SCHEMBL20546209 0.89 CTSA (0.53) FFAR1AKR1C3AKR1C2KMT2ASMN1; SMN2
SCHEMBL20546211 0.89 CTSA (0.53) FFAR1AKR1C3AKR1C2KMT2ASMN1; SMN2
SCHEMBL20546464 0.88 AKR1C3 (0.55) FFAR1AKR1C3AKR1C2KMT2ASMN1; SMN2
SCHEMBL20546463 0.88 AKR1C3 (0.55) FFAR1AKR1C3AKR1C2KMT2ASMN1; SMN2
SCHEMBL28368511 0.87 AKR1C3 (0.46) FFAR1AKR1C3AKR1C2SMN1; SMN2AKR1C4
SCHEMBL30541281 0.87 AKR1C3 (0.46) FFAR1AKR1C3AKR1C2SMN1; SMN2AKR1C4
SCHEMBL20545627 0.86 CTSA (0.48) FFAR1KMT2ASMN1; SMN2CTSAMME

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 5 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
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885AKR1C3 291/4885AKR1C2 730/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 FFAR1 37/4885AKR1C3 291/4885AKR1C2 730/4885

“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.