SCHEMBL1508565

SCHEMBL1508565

O=C(O)CCCc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
EPHX2 P34913 2/20 0.53
PTGFR P43088 1/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
FFAR4 Q5NUL3 3/20 0.51
FFAR1 O14842 2/20 0.49
MEN1 O00255 2/20 0.48

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
SCHEMBL30427744 1.00 HDAC1 (0.54) HDAC1HDAC8EPHX2PTGFRHDAC3
SCHEMBL30428006 0.95 HDAC1 (0.56) HDAC1HDAC8EPHX2PTGFRHDAC3
SCHEMBL29246654 0.93 PTGFR (0.56) HDAC1HDAC8EPHX2PTGFRHDAC3
SCHEMBL29733422 0.89 EPHX2 (0.59) HDAC1HDAC8EPHX2PTGFRFFAR4
SCHEMBL1953231 0.89 EPHX2 (0.59) HDAC1HDAC8EPHX2PTGFRFFAR4
SCHEMBL29009872 0.87 HDAC1 (0.49) HDAC1HDAC8EPHX2PTGFRHDAC3
SCHEMBL7505411 0.86 HDAC1 (0.54) HDAC1HDAC8EPHX2MEN1KMT2A
SCHEMBL29009963 0.85 FFAR4 (0.54) HDAC1HDAC8EPHX2PTGFRHDAC3
SCHEMBL31512109 0.81 HDAC3 (0.68) HDAC1HDAC8HDAC3MAPK1ADRA1A
SCHEMBL2878880 0.81 HDAC3 (0.68) HDAC1HDAC8HDAC3MAPK1ADRA1A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed
EP-3769776-A1 PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2021-01-27 EP disclosed
EP-2822572-B1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2020-06-10 EP disclosed
CN-110914241-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-3432904-A2 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES Aileron Therapeutics, Inc. (US) 2019-01-30 EP disclosed
WO-2018165575-A2 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 AILERON THERAPEUTICS, INC. (US) 2018-09-13 WO disclosed
EP-3347372-A1 PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF MCL-1 Aileron Therapeutics, Inc. (US) 2018-07-18 EP disclosed
EP-3294318-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2018-03-21 EP disclosed
WO-2017165299-A2 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2017-09-28 WO disclosed
EP-3197478-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF Aileron Therapeutics, Inc. (US) 2017-08-02 EP disclosed
WO-2013059525-A1 PEPTIDOMIMETIC MACROCYLES AILERON THERAPEUTICS, INC. (US) 2013-04-25 WO disclosed
WO-2012173846-A2 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2012-12-20 WO disclosed
WO-2012166387-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 WO disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-7956054-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2011-06-07 US disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP disclosed
EP-2054390-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPV1 AND USES THEREOF Abbott Laboratories (US) 2009-05-06 EP disclosed
WO-2008024945-A1 INDAZOLE DERIVATIVES THAT INHIBIT TRPV1 AND USES THEREOF ABBOTT LABORATORIES (US) 2008-02-28 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 (1 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 HDAC1 379/4885HDAC8 1499/4885EPHX2 1484/4885

“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.