SCHEMBL17265485

SCHEMBL17265485

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3C(O)CSCc3cccc(C(C)(C)C)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SYK P43405 1/20 0.36
LMNA P02545 1/20 0.36
LPAR1 Q92633 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
LPAR2 Q9HBW0 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ADRB2 P07550 2/20 0.31
ADRB1 P08588 2/20 0.31
ADRB3 P13945 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31

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
SCHEMBL6870 0.94 SYK (0.40) MAPTSYKPOLBALDH1A1KDM4E
SCHEMBL6706 0.89 LPAR1 (0.41) SMN1; SMN2LMNALPAR1ALDH1A1LPAR2
SCHEMBL7427 0.85 SYK (0.38) MAPTSYKALDH1A1KDM4EHPGD
SCHEMBL6584 0.83 RXRA (0.40) LPAR1LPAR2LPAR3RXRARXRB
SCHEMBL7740 0.80 LPAR1 (0.40) SMN1; SMN2SYKLPAR1ALDH1A1KDM4E
SCHEMBL1678 0.80 MEN1 (0.39) MAPTLMNALPAR1ALDH1A1KDM4E
SCHEMBL6659 0.79 MEN1 (0.40) SYKPOLBALDH1A1KDM4EMEN1
SCHEMBL7135 0.78 FFAR1 (0.46) SYKRXRARXRBRXRG
SCHEMBL7721 0.78 LPAR1 (0.48) LMNALPAR1LPAR2LPAR3HTT
SCHEMBL18597717 0.77 EPHX1 (0.35) MAPTSMN1; SMN2LMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 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-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MAPT 3775/4885SMN1; SMN2 3852/4885SYK 2738/4885

“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.