SCHEMBL16060874

SCHEMBL16060874

Cc1noc(-c2ccc(CCl)cc2)c1[C@@H](Cc1ccccc1Cl)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.42
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.42
P2RX7 Q99572 3/20 0.39
ALOX5 P09917 2/20 0.37
ALOX5AP P20292 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
SLC26A6 Q9BXS9 1/20 0.34
ITGB7 P26010 1/20 0.34

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
SCHEMBL16496502 0.90 ALOX5 (0.40) LPAR1LPAR3LPAR2P2RX7ALOX5
SCHEMBL16496187 0.89 LPAR1 (0.36) LPAR1LPAR3LPAR2P2RX7KDM4E
SCHEMBL2762347 0.89 LPAR1 (0.41) LPAR1LPAR3LPAR2P2RX7ALOX5
SCHEMBL2839111 0.89 LPAR1 (0.41) LPAR1LPAR3LPAR2P2RX7ALOX5
SCHEMBL3784904 0.89 LPAR1 (0.40) LPAR1LPAR3LPAR2SMN1; SMN2TSHR
SCHEMBL2834340 0.88 LPAR1 (0.41) LPAR1LPAR3LPAR2P2RX7ALOX5
SCHEMBL2837769 0.84 P2RX7 (0.37) LPAR1LPAR3LPAR2P2RX7ALOX5
SCHEMBL2836944 0.82 KMT2A (0.38) LPAR1LPAR3LPAR2P2RX7SMN1; SMN2
SCHEMBL20533107 0.79 LPAR1 (0.41) LPAR1LPAR3LPAR2SMN1; SMN2TSHR
SCHEMBL16060372 0.79 LPAR1 (0.40) LPAR1LPAR3LPAR2KDM4EMAPT

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
CN-105142635-B Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-07-27 CN disclosed
EP-2988743-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES INC (US) 2020-12-09 EP disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2019-05-09 US disclosed
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease EPIGEN BIOSCIENCES, INC. (US) 2018-10-18 US disclosed
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2018-06-19 US disclosed
EP-2988743-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE Epigen Biosciences, Inc. (US) 2016-03-02 EP disclosed
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2016-01-28 US disclosed
WO-2014145873-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 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 (7 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-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease LPAR1, LPAR4, LPAR2 LPAR1 1/4885LPAR3 4/4885LPAR2 3/4885
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 4/4885
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR4, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 4/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 4/4885
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 4/4885LPAR2 2/4885
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 LPAR1 1/4885LPAR3 5/4885LPAR2 2/4885

“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.