SCHEMBL15013169

SCHEMBL15013169

CC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)ncn1C)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.75
LPAR3 Q9UBY5 12/20 0.75
HRH1 P35367 1/20 0.64
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
ABCB11 O95342 1/20 0.58
CYP2C8 P10632 1/20 0.58
CYP2C9 P11712 1/20 0.58
ABCB4 P21439 1/20 0.58
ABCC2 Q92887 1/20 0.58
SLCO1B3 Q9NPD5 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58

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
SCHEMBL15013167 1.00 LPAR1 (0.75) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL14710291 1.00 LPAR1 (0.75) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL16477192 0.94 LPAR1 (0.67) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL16210862 0.93 LPAR1 (0.65) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL14710283 0.93 LPAR1 (0.65) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL14790537 0.90 LPAR1 (0.60) LPAR1LPAR3HRH1ABCC3ABCC4
SCHEMBL14709947 0.88 LPAR1 (0.59) LPAR1LPAR3HRH1
SCHEMBL14788582 0.88 LPAR1 (0.59) LPAR1LPAR3HRH1
SCHEMBL15013300 0.88 LPAR1 (0.59) LPAR1LPAR3HRH1
SCHEMBL14790536 0.86 LPAR1 (0.56) LPAR1LPAR3HRH1ABCC3ABCC4

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-20140329871-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2014-11-06 US claimed
WO-2013085824-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2013-06-13 WO claimed
US-20140329871-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2014-11-06 US disclosed
WO-2013085824-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF ANGION BIOMEDICA CORP. (US) 2013-06-13 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-20140329871-A1 SMALL MOLECULE ANTI-FIBROTIC COMPOUNDS AND USES THEREOF MMP1, COL1A1, COL2A1 LPAR1 709/4885LPAR3 699/4885HRH1 653/4885

“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.