Sugi Predict

Sugi Predict / Compounds / SCHEMBL16355241

SCHEMBL16355241

SCHEMBL16355241

CN(CCN1CCCNCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NC3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.40
▸ TAOK1 Q7L7X3 1/20 0.39
▸ TAOK3 Q9H2K8 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BDKRB1 P46663 6/20 0.38
▸ AURKA O14965 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ TAS1R2 Q8TE23 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL46865 1.00 CTSS (0.40) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL47034 0.98 CTSS (0.42) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15432850 0.93 CTSS (0.40) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15432657 0.91 ALDH1A1 (0.44) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL46673 0.91 ALDH1A1 (0.44) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15420818 0.91 ALDH1A1 (0.44) CTSSTAOK1TAOK3LMNAPOLB
Hydrochloric Acid SCHEMBL15421169 0.91 ALDH1A1 (0.43) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL16355240 0.91 ALDH1A1 (0.39) LMNAALDH1A1TSHRBDKRB1MEN1
Hydrochloric Acid SCHEMBL15421171 0.91 ALDH1A1 (0.43) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL2730540 0.91 CTSS (0.43) CTSSTAOK1TAOK3LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 — — US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 — — US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 — — 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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CTSS 1461/4885TAOK1 2167/4885TAOK3 2420/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CTSS 1461/4885TAOK1 2167/4885TAOK3 2420/4885

“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.