SCHEMBL20533236

SCHEMBL20533236

Cc1noc(-c2ccc(CCl)cc2)c1[C@@H]([CH]c1ccccc1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
S1PR1 P21453 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
S1PR3 Q99500 1/20 0.34
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33

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
SCHEMBL20533002 0.90 LPAR1 (0.39) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL20533107 0.88 LPAR1 (0.41) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3784904 0.81 LPAR1 (0.40) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL16060874 0.76 LPAR1 (0.42) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL16496187 0.76 LPAR1 (0.36) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3706068 0.70 MAPT (0.52) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL16060372 0.70 LPAR1 (0.40) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL28594409 0.70 CRHBP (0.34) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL3702392 0.70 BACE1 (0.40) LPAR1LPAR3LPAR2KDM4EMAPT
SCHEMBL2761302 0.68 RAB9A (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4

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 2 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
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease EPIGEN BIOSCIENCES, INC. (US) 2018-10-18 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 (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-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease LPAR1, LPAR4, LPAR2 LPAR1 1/4885LPAR3 4/4885LPAR2 3/4885

“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.