SCHEMBL16355202

SCHEMBL16355202

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.39
▸ RAPGEF4 Q8WZA2 2/20 0.39
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ TACR1 P25103 4/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MLYCD O95822 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RHOC P08134 1/20 0.34
▸ RHOA P61586 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34

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
SCHEMBL15432486 0.89 IDO1 (0.48) IDO1ADRB2TACR1MTORMLYCD
SCHEMBL12765145 0.83 NOS1 (0.43) IDO1RAPGEF4NOS3NOS1TACR1
SCHEMBL13117438 0.82 GLA (0.39) —
SCHEMBL15432482 0.82 CYP3A4 (0.41) IDO1ADRB2MTOR
SCHEMBL13461889 0.81 TACR1 (0.50) IDO1RAPGEF4NOS3NOS1TACR1
SCHEMBL19443084 0.81 RAPGEF4 (0.41) IDO1RAPGEF4NOS3NOS1TACR1
SCHEMBL14570493 0.78 IDO1 (0.43) IDO1RAPGEF4NOS3NOS1TACR1
SCHEMBL16355201 0.78 RPS6KB1 (0.37) IDO1RAPGEF4NOS3NOS1
SCHEMBL18252826 0.77 ALDH1A1 (0.41) IDO1RAPGEF4NOS3NOS1TACR1
SCHEMBL16767879 0.77 GRIN2B (0.44) IDO1RAPGEF4NOS3NOS1GRIN2B

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 IDO1 3699/4885RAPGEF4 1312/4885NOS3 3697/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 IDO1 3699/4885RAPGEF4 1312/4885NOS3 3697/4885

“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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