SCHEMBL2599668

SCHEMBL2599668

CCCC(CC)(C(=O)O)C(=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL11211705 0.91 ALDH1A1 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3062956 0.85 ALDH1A1 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL1033008 0.85 ALDH1A1 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
Methane SCHEMBL28218821 0.83 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL548963 0.83 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL16054795 0.83 ALDH1A1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9307815 0.83 MEN1 (0.31) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL1031267 0.80 FFAR3 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9025615 0.79 ALDH1A1 (0.34) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL21269721 0.78 FFAR3 (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731941-B1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2019-05-08 EP disclosed
US-9108958-B2 Selective CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-18 US disclosed
EP-2571870-B1 CCR2 ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
EP-2802592-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-11-19 EP disclosed
US-8841313-B2 CCR2 antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 US disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
US-20130184299-A1 CCR2 ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
EP-2571870-A1 CCR2 ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-03-27 EP disclosed
WO-2011144501-A1 CCR2 ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 WO disclosed
US-4308384-A Production of triazinones GLAXO GROUP LIMITED (GB) 1981-12-29 US 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-20130172348-A1 NOVEL AND SELECTIVE CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 ALDH1A1 2518/4885MEN1 4880/4885CYP1A2 1119/4885
US-20130184299-A1 CCR2 ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCL2 ALDH1A1 1753/4885MEN1 4859/4885CYP1A2 758/4885

“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.