SCHEMBL20546331

SCHEMBL20546331

COc1cccc(-c2cc(C(N)CC(=O)O)ccc2OC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSA P10619 12/20 0.48
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
FFAR1 O14842 2/20 0.47
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DGAT2 Q96PD7 1/20 0.42

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
SCHEMBL20546329 1.00 CTSA (0.48) CTSAAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL20546275 0.92 CTSA (0.57) CTSA
SCHEMBL20546274 0.92 CTSA (0.57) CTSA
SCHEMBL20546211 0.89 CTSA (0.53) CTSAAKR1C3AKR1C2FFAR1KMT2A
SCHEMBL20546209 0.89 CTSA (0.53) CTSAAKR1C3AKR1C2FFAR1KMT2A
SCHEMBL30541371 0.88 AKR1C3 (0.42) CTSAAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL28373473 0.88 AKR1C3 (0.42) CTSAAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL20545834 0.87 CTSA (0.47) CTSAFFAR1KMT2ASMN1; SMN2
SCHEMBL20545832 0.87 CTSA (0.47) CTSAFFAR1KMT2ASMN1; SMN2
SCHEMBL20546464 0.84 AKR1C3 (0.55) CTSAAKR1C3AKR1C2AKR1C4AKR1C1

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 CTSA 2240/4885AKR1C3 291/4885AKR1C2 730/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 CTSA 2240/4885AKR1C3 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.