SCHEMBL12852570

SCHEMBL12852570

CNc1cc(C(=O)OC)cc(C(=O)N(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
LMNA P02545 3/20 0.47
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 7/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 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
SCHEMBL12852583 0.89 ALDH1A1 (0.41) KDM4ELMNAHSD17B10ALDH1A1MAPT
SCHEMBL23471194 0.89 CA1 (0.54) KDM4ELMNAHSD17B10ALDH1A1CA12
SCHEMBL3284842 0.87 KDM4E (0.59) KDM4ELMNAHSD17B10ALDH1A1CA12
SCHEMBL20888449 0.85 CA12 (0.47) KDM4ELMNAHSD17B10ALDH1A1CA12
SCHEMBL10932496 0.83 CA12 (0.56) KDM4ELMNAHSD17B10ALDH1A1CA12
SCHEMBL14577653 0.82 SLC7A5 (0.49) KDM4ELMNAHSD17B10ALDH1A1CA12
SCHEMBL12852640 0.81 KMT2A (0.41) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3488840 0.81 CA12 (0.46) KDM4ELMNAHSD17B10ALDH1A1CA12
SCHEMBL3554201 0.81 CA1 (0.48) KDM4ELMNAHSD17B10ALDH1A1CA12
SCHEMBL584301 0.81 CA12 (0.46) KDM4ELMNAHSD17B10ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors ALKAHEST, INC. 2023-11-02 US disclosed
US-RE45323-E1 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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 (4 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-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors CCR3, CCR1, CCR4 KDM4E 3993/4885LMNA 3428/4885HSD17B10 3635/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 KDM4E 3939/4885LMNA 1709/4885HSD17B10 2555/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 KDM4E 3679/4885LMNA 4657/4885HSD17B10 3772/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 KDM4E 3566/4885LMNA 4598/4885HSD17B10 3098/4885

“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.