Sugi Predict

Sugi Predict / Compounds / SCHEMBL4549699

SCHEMBL4549699

SCHEMBL4549699

COc1c(O)c(F)cc(C#N)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ AR P10275 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL3335266 0.83 TRPV4 (0.39) TRPV4CYP11B1CYP11B2ARKDM4E
SCHEMBL8606393 0.79 TRPV4 (0.39) TRPV4CYP11B1CYP11B2ARKDM4E
SCHEMBL24445893 0.77 TDP1 (0.39) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL27717558 0.76 TRPV4 (0.39) TRPV4CYP11B1CYP11B2ARKDM4E
SCHEMBL26690821 0.74 TRPV4 (0.45) TRPV4ESR1ESR2ARMEN1
SCHEMBL14782652 0.73 HPGD (0.39) ALDH1A1HPGDAKR1B1
SCHEMBL23304216 0.72 ESR1 (0.40) TRPV4ESR1ESR2CYP11B1CYP11B2
SCHEMBL5949926 0.72 AR (0.40) TRPV4CYP11B1CYP11B2ARKDM4E
SCHEMBL10534477 0.71 KHK (0.39) TRPV4ESR1ESR2CYP11B1CYP11B2
SCHEMBL3840732 0.71 TRPV4 (0.36) TRPV4CYP11B1CYP11B2ARKDM4E

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
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 — — US disclosed
US-9056859-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-06-16 — — US disclosed
EP-2632464-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-04-29 — — EP disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 — — US disclosed
US-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2013-08-22 — — US disclosed
WO-2012058134-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 — — WO 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-20130217680-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TRPV4 384/4885ESR1 4586/4885ESR2 2692/4885

“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.