SCHEMBL17829926

SCHEMBL17829926

O=Cc1cc(-c2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.48
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 4/20 0.46
PTPN1 P18031 3/20 0.41
PTPN5 P54829 1/20 0.41
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
TSHR P16473 1/20 0.40
CYP2A6 P11509 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
BACE1 P56817 1/20 0.39
TACR1 P25103 1/20 0.38

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
SCHEMBL30541278 1.00 KIF11 (0.48) KIF11RXRARXRBRXRGPTPN1
SCHEMBL3511526 0.83 KIF11 (0.53) KIF11RXRARXRBRXRG
SCHEMBL18002057 0.83 HSD17B10 (0.44) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL26683089 0.82 AR (0.44) TRIM24TRIM33
SCHEMBL18002409 0.82 ERN1 (0.41) KIF11RXRARXRBRXRGPTPN1
SCHEMBL1976815 0.82 TRIM24 (0.47) KIF11RXRARXRBRXRGALDH1A1
SCHEMBL2138447 0.80 KIF11 (0.65) KIF11RXRARXRBRXRGPTPN1
SCHEMBL31093906 0.80 KIF11 (0.65) KIF11RXRARXRBRXRGPTPN1
SCHEMBL1664238 0.80 ALDH1A1 (0.55) ALDH1A1TRIM24TRIM33CYP2A6
SCHEMBL7902633 0.80 ALDH1A1 (0.55) ALDH1A1TRIM24TRIM33CYP2A6

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 12 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
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN 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
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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 (3 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 KIF11 3064/4885RXRA 462/4885RXRB 389/4885
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 KIF11 4880/4885RXRA 4266/4885RXRB 4247/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 KIF11 3064/4885RXRA 462/4885RXRB 389/4885

“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.