SCHEMBL17435239

SCHEMBL17435239

CCc1c(C(=O)O)c(=O)c2ccccc2n1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.59
PLA2G2A P14555 8/20 0.51
LMNA P02545 1/20 0.49
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.48
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NTRK1 P04629 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
PLA2G10 O15496 1/20 0.47
PLA2G6 O60733 1/20 0.47
PLA2G1B P04054 1/20 0.47
PLA2G5 P39877 1/20 0.47

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
SCHEMBL290764 0.79 PLA2G2A (0.67) PLA2G2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2005738 0.77 PLA2G2A (0.57) PLA2G2APLA2G10PLA2G6PLA2G1BPLA2G5
SCHEMBL2004858 0.76 PLA2G2A (0.58) PLA2G2ALMNAKDM4EALDH1A1MEN1
SCHEMBL27443583 0.76 ALDH1A1 (0.63) P2RX4LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL2002208 0.76 FABP4 (0.50) PLA2G2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL29904927 0.76 P2RX4 (1.00) P2RX4CYP19A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14160818 0.76 P2RX4 (1.00) P2RX4CYP19A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL612585 0.76 POLB (0.62) P2RX4PLA2G2ALMNACYP19A1KDM4E
SCHEMBL27725617 0.75 P2RX4 (0.54) P2RX4LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL28158573 0.74 P2RX4 (0.60) P2RX4PLA2G2ALMNACYP19A1KDM4E

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-9573902-B2 Process for the preparation of Ivacaftor and its intermediates LAURUS LABS PRIVATE LTD. (IN) 2017-02-21 US claimed
US-20160016909-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES LAURUS LABS LIMITED (IN) 2016-01-21 US claimed
US-9573902-B2 Process for the preparation of Ivacaftor and its intermediates LAURUS LABS PRIVATE LTD. (IN) 2017-02-21 US disclosed
US-20160016909-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES LAURUS LABS LIMITED (IN) 2016-01-21 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-20160016909-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES SLC10A2, SLC26A4, SLC10A1 P2RX4 595/4885PLA2G2A 3038/4885LMNA 1823/4885

“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.