SCHEMBL2743374

SCHEMBL2743374

O=C(O)CCCC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CTNNB1 P35222 1/20 0.56
WNT3A P56704 1/20 0.56
TBXA2R P21731 13/20 0.53
TBXAS1 P24557 9/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
SRD5A2 P31213 1/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL5851344 0.97 CES2 (0.57) CES2CTNNB1WNT3ATBXA2RTBXAS1
SCHEMBL5849210 0.95 HDAC3 (0.60) CES2CTNNB1WNT3ATBXA2RTBXAS1
SCHEMBL744906 0.90 CTNNB1 (0.62) CES2CTNNB1WNT3ATBXA2RTBXAS1
SCHEMBL4309488 0.88 CES2 (0.57) CES2CTNNB1WNT3AHDAC3HDAC1
SCHEMBL17134152 0.84 HDAC3 (0.60) CES2CTNNB1WNT3AHDAC3HDAC1
SCHEMBL5542102 0.84 CES2 (0.57) CES2CTNNB1WNT3AHDAC3HDAC1
SCHEMBL7376684 0.84 CES2 (0.57) CES2CTNNB1WNT3AHDAC3HDAC1
SCHEMBL5660597 0.83 CES2 (0.56) CES2CTNNB1WNT3ATBXA2RHDAC3
SCHEMBL5544636 0.83 CES2 (0.56) CES2CTNNB1WNT3AHDAC3HDAC1
SCHEMBL27629242 0.83 HDAC3 (0.59) CES2CTNNB1WNT3AHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
US-11046706-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2021-06-29 US disclosed
US-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2019-10-03 US disclosed
US-10196402-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2019-02-05 US disclosed
EP-3091012-B1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CENTREXION THERAPEUTICS CORP (US) 2018-04-11 EP disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 US disclosed
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 US disclosed
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 US disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
WO-2011073154-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-23 WO disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (9 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-20190300541-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CES2 2463/4885CTNNB1 4193/4885WNT3A 2740/4885
US-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CES2 2463/4885CTNNB1 4193/4885WNT3A 2740/4885
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CES2 2402/4885CTNNB1 3991/4885WNT3A 2622/4885
US-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 CES2 1272/4885CTNNB1 3975/4885WNT3A 4132/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CES2 2463/4885CTNNB1 4193/4885WNT3A 2740/4885
US-10196402-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CES2 2463/4885CTNNB1 4193/4885WNT3A 2740/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CES2 2402/4885CTNNB1 3991/4885WNT3A 2622/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CES2 2402/4885CTNNB1 3991/4885WNT3A 2622/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CES2 2463/4885CTNNB1 4193/4885WNT3A 2740/4885

“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.