SCHEMBL20545914

SCHEMBL20545914

O=Cc1ccc(-c2cc(F)ccc2F)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
APP P05067 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
PRF1 P14222 1/20 0.38
MAPT P10636 2/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
PGR P06401 1/20 0.35

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
SCHEMBL30541259 1.00 DPP4 (0.41) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL20546563 0.86 HSD17B1 (0.45) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL30541282 0.86 HSD17B1 (0.45) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2550922 0.80 ERN1 (0.40) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2560505 0.80 KEAP1 (0.39) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL13221493 0.79 DPP4 (0.47) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2561442 0.76 KEAP1 (0.42) DPP4CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL1133750 0.74 APP (0.54) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2020947 0.74 PRF1 (0.55) DPP4CHRM2CHRM4CHRM5CHRM1
SCHEMBL28979067 0.73 ERN1 (0.40) DPP4CHRM2CHRM4CHRM5CHRM1

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 7 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
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
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

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 DPP4 1783/4885CHRM2 48/4885CHRM4 184/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 DPP4 1783/4885CHRM2 48/4885CHRM4 184/4885

“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.