SCHEMBL16355201

SCHEMBL16355201

Cc1cc(F)cc(CNC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.37
▸ NTRK1 P04629 2/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RAPGEF4 Q8WZA2 2/20 0.32
▸ IDO1 P14902 2/20 0.32
▸ NR3C1 P04150 1/20 0.31

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
SCHEMBL17788630 0.88 IDO1 (0.41) MAPTMEN1KMT2AIDO1
SCHEMBL13117438 0.86 GLA (0.39) GLAMAPTKDM4EALDH1A1MEN1
SCHEMBL15432482 0.78 CYP3A4 (0.41) NTRK1NTRK3NTRK2KDM4EALDH1A1
SCHEMBL16355202 0.78 IDO1 (0.39) RAPGEF4IDO1NOS3NOS1
SCHEMBL11983503 0.78 NOS1 (0.43) RPS6KB1NTRK1NTRK3NTRK2MAPT
SCHEMBL1912755 0.74 NR3C1 (0.36) RAPGEF4IDO1NR3C1PGRNR3C2
SCHEMBL10294063 0.73 TAAR1 (0.50) KDM4EALDH1A1GAAHPGDIDO1
SCHEMBL15587611 0.73 MAP4K4 (0.42) RPS6KB1NTRK1NTRK3NTRK2KDM4E
SCHEMBL14570491 0.72 ACHE (0.39) RPS6KB1RAPGEF4IDO1NR3C1PGR
SCHEMBL17576038 0.72 RPS6KB1 (0.36) RPS6KB1NTRK1NTRK3NTRK2RAPGEF4

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-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 RPS6KB1 1776/4885NTRK1 4429/4885NTRK3 4269/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 RPS6KB1 1776/4885NTRK1 4429/4885NTRK3 4269/4885

“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.

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