SCHEMBL1154085

SCHEMBL1154085

CCCCOOc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
TSHR P16473 1/20 0.49
PTPN11 Q06124 4/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
S1PR3 Q99500 1/20 0.44
TP53 P04637 1/20 0.44
MCL1 Q07820 1/20 0.43
HTR2C P28335 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1153890 0.87 GAA (0.60) GAATSHRPTPN11ALDH1A1TDP1
SCHEMBL10592254 0.81 PTPN11 (0.66) GAATSHRPTPN11ALDH1A1TDP1
SCHEMBL1505296 0.81 KDM4E (0.58) GAATSHRPTPN11ALDH1A1TDP1
SCHEMBL20522075 0.79 GAA (0.61) GAATSHRPTPN11ALDH1A1L3MBTL1
SCHEMBL6693055 0.79 KDM4E (0.59) TSHRPTPN11ALDH1A1TDP1L3MBTL1
SCHEMBL1505275 0.77 PTPN11 (0.57) GAATSHRPTPN11ALDH1A1TDP1
SCHEMBL28986446 0.77 PTPN11 (0.43) TSHRPTPN11TDP1L3MBTL1KDM4E
SCHEMBL11653723 0.75 PTPN11 (0.54) TSHRPTPN11ALDH1A1TP53
SCHEMBL28961931 0.75 TSHR (0.55) TSHRALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL28961926 0.75 TSHR (0.59) TSHRALDH1A1TDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299123-B2 CCR10 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-30 US disclosed
EP-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed
US-20110039851-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-17 US disclosed
EP-2215065-A1 CCR10 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009052078-A1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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-20110039851-A1 CCR10 ANTAGONISTS CCR10, CCR1, CCR4 GAA 4041/4885TSHR 1523/4885PTPN11 107/4885

“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.