SCHEMBL2016059

SCHEMBL2016059

O=Cc1ccc(-c2cccc(F)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.56
HSD17B2 P37059 3/20 0.56
PRF1 P14222 2/20 0.56
CYP2E1 P05181 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP2C19 P33261 1/20 0.54
APP P05067 1/20 0.49
MAPT P10636 2/20 0.46
ESRRG P62508 4/20 0.45
DPP4 P27487 1/20 0.45
CNR1 P21554 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.41
PGR P06401 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL1133750 0.82 APP (0.54) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL70783 0.81 APP (0.67) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL13221507 0.80 PRF1 (0.57) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL7010956 0.79 CYP2A6 (0.54) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL2019002 0.79 PRF1 (0.56) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL5760473 0.79 CYP2E1 (0.54) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL9199395 0.79 CYP2E1 (0.54) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL7905308 0.78 APP (0.68) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL10472980 0.78 APP (0.73) HSD17B1HSD17B2PRF1CYP2E1CYP3A4
SCHEMBL16398737 0.78 CYP2E1 (0.42) HSD17B1HSD17B2PRF1CYP2E1CYP3A4

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 10 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
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 WO disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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 HSD17B1 2006/4885HSD17B2 2347/4885PRF1 1453/4885
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 HSD17B1 1243/4885HSD17B2 1355/4885PRF1 1/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 HSD17B1 2006/4885HSD17B2 2347/4885PRF1 1453/4885

“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.