SCHEMBL3784904

SCHEMBL3784904

Cc1noc(-c2ccc(CCl)cc2)c1[C@@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.40
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 2/20 0.36
ACE2 Q9BYF1 2/20 0.36
GAA P10253 1/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16060372 0.90 LPAR1 (0.40) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL2761549 0.89 TSHR (0.41) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL16060874 0.89 LPAR1 (0.42) LPAR1LPAR3LPAR2SMN1; SMN2KDM4E
SCHEMBL16496187 0.88 LPAR1 (0.36) LPAR1LPAR3LPAR2ALDH1A1KDM4E
SCHEMBL2761302 0.88 RAB9A (0.42) LPAR1LPAR3LPAR2ALDH1A1HTT
SCHEMBL2836880 0.88 RAB9A (0.42) LPAR1LPAR3LPAR2ALDH1A1HTT
SCHEMBL16496942 0.84 LMNA (0.40) LPAR1LPAR3LPAR2ALDH1A1HTT
SCHEMBL2762232 0.82 MEN1 (0.40) LPAR1LPAR3LPAR2ALDH1A1HTT
SCHEMBL20533236 0.81 LPAR1 (0.39) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL2762285 0.79 SMN1; SMN2 (0.39) LPAR1ALDH1A1HTTSMN1; SMN2KDM4E

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 12 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
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 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 (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.