SCHEMBL4534

SCHEMBL4534

CCOC(=O)CC1(c2ccc(-c3ccc(-c4onc(C)c4C(O)CCCc4ccc(Oc5ccccc5)cc4)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
GAA P10253 1/20 0.37
LPAR1 Q92633 2/20 0.36
ABCC3 O15438 1/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
ABCB4 P21439 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
BRD4 O60885 2/20 0.36
IP6K1 Q92551 2/20 0.34
IP6K3 Q96PC2 2/20 0.34
IP6K2 Q9UHH9 2/20 0.34
MMP2 P08253 1/20 0.33
BMP1 P13497 1/20 0.33
KCNA3 P22001 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
SCHEMBL7142 0.94 GAA (0.40) GAALPAR1ABCC3ABCC4ABCB11
SCHEMBL4185 0.92 GAA (0.38) GAALPAR1ABCC3ABCC4ABCB11
SCHEMBL3971 0.92 MMP12 (0.42) MMP12MMP13LPAR1ABCC3ABCC4
SCHEMBL6481 0.91 GAA (0.39) GAALPAR1ABCC3ABCC4ABCB11
SCHEMBL18167225 0.89 MMP12 (0.37) MMP12MMP13LPAR1ABCC3ABCC4
SCHEMBL7152 0.87 LMNA (0.36) GAALPAR1ABCC3ABCC4ABCB11
SCHEMBL4535 0.87 GAA (0.37) MMP12MMP13GAALPAR1ABCC3
SCHEMBL4161 0.85 IP6K1 (0.38) GAALPAR1ABCC3ABCC4ABCB11
SCHEMBL4160 0.85 IP6K1 (0.38) GAALPAR1ABCC3ABCC4ABCB11
SCHEMBL6860 0.84 LPAR1 (0.40) MMP12MMP13LPAR1ABCC3ABCC4

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
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 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 (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-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 MMP12 1124/4885MMP13 1436/4885GAA 1285/4885

“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.