SCHEMBL20533240

SCHEMBL20533240

Cc1c(NC(=O)OC(C)c2ccccc2)c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)nn1C

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.71
LPAR3 Q9UBY5 12/20 0.71
ABCC3 O15438 1/20 0.65
ABCC4 O15439 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2C9 P11712 1/20 0.65
ABCB4 P21439 1/20 0.65
ABCC2 Q92887 1/20 0.65
SLCO1B3 Q9NPD5 1/20 0.65
SLCO1B1 Q9Y6L6 1/20 0.65
HRH1 P35367 1/20 0.60

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
SCHEMBL16060967 1.00 LPAR1 (0.71) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL16062244 0.93 LPAR1 (0.61) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL16062243 0.93 LPAR1 (0.61) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL16060504 0.88 LPAR1 (0.72) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL16060819 0.88 LPAR1 (0.72) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL28599979 0.87 LPAR1 (0.70) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL16061168 0.86 LPAR1 (0.54) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL22026746 0.86 LPAR1 (0.54) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14711681 0.84 LPAR1 (0.72) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14712154 0.84 LPAR1 (0.64) LPAR1LPAR3ABCC3ABCC4ABCB11

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
CN-105142635-A Heterocyclic compounds useful in treatment of disease EPIGEN BIOSCIENCES INC 2015-12-09 CN claimed
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2022-08-30 US disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease EPIGEN BIOSCIENCES, INC. (US) 2018-10-18 US disclosed
CN-105142635-A Heterocyclic compounds useful in treatment of disease EPIGEN BIOSCIENCES INC 2015-12-09 CN 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 (3 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-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease LPAR1, LPAR4, LPAR2 LPAR1 1/4885LPAR3 4/4885ABCC3 2420/4885
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 LPAR1 1/4885LPAR3 3/4885ABCC3 2687/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 LPAR1 1/4885LPAR3 3/4885ABCC3 2687/4885

“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.