Sugi Predict

Sugi Predict / Compounds / SCHEMBL44892

SCHEMBL44892

SCHEMBL44892

CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)c(-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ TAS1R2 Q8TE23 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL46789 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ELMNATAS1R3TAS1R1
SCHEMBL6002133 0.93 ALDH1A1 (0.41) ALDH1A1KDM4ELMNATAS1R3TAS1R1
SCHEMBL15432712 0.93 LMNA (0.47) ALDH1A1KDM4ELMNATAS1R3TAS1R1
SCHEMBL18040377 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ELMNATAS1R3TAS1R1
SCHEMBL46768 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ELMNATAS1R3TAS1R1
SCHEMBL16355240 0.91 ALDH1A1 (0.39) ALDH1A1KDM4ELMNATAS1R3TAS1R1
SCHEMBL2730041 0.91 ALDH1A1 (0.39) ALDH1A1KDM4ELMNATAS1R3TAS1R1
SCHEMBL46673 0.90 ALDH1A1 (0.44) ALDH1A1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL15432657 0.90 ALDH1A1 (0.44) ALDH1A1LMNATAS1R3TAS1R1TAS1R2
SCHEMBL15420818 0.90 ALDH1A1 (0.44) ALDH1A1LMNATAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 — — EP disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 — — EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 — — US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 — — US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 — — US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 — — 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 (2 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 ALDH1A1 2892/4885KDM4E 3721/4885LMNA 2948/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 ALDH1A1 3332/4885KDM4E 4411/4885LMNA 3817/4885

“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.