Sugi Predict

Sugi Predict / Compounds / SCHEMBL4308440

SCHEMBL4308440

SCHEMBL4308440

O=C(NCc1cc(C2CC2)ncc1F)[C@](O)(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.36
▸ P2RX7 Q99572 2/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ HDAC4 P56524 2/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNA1I Q9P0X4 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 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
SCHEMBL13881859 0.94 CETP (0.41) CETPP2RX7RIPK1MAPK1SUCNR1
SCHEMBL4306551 0.94 CETP (0.41) CETPP2RX7RIPK1MAPK1SUCNR1
SCHEMBL583527 0.82 POLQ (0.36) RIPK1
SCHEMBL582587 0.82 POLQ (0.36) RIPK1
SCHEMBL5522553 0.82 POLQ (0.36) RIPK1
SCHEMBL13892428 0.81 CETP (0.37) CETPRIPK1SUCNR1BDKRB1
SCHEMBL4312802 0.81 CETP (0.37) CETPRIPK1SUCNR1BDKRB1
SCHEMBL4322706 0.81 CETP (0.37) CETPRIPK1SUCNR1BDKRB1
SCHEMBL13881866 0.80 CETP (0.37) CETPHDAC3HDAC6BDKRB1
SCHEMBL4313667 0.80 CETP (0.37) CETPHDAC3HDAC6BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 — — US claimed
EP-1912945-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-04-23 — — EP claimed
WO-2007016358-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-02-08 — — WO claimed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 — — US disclosed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 — — US disclosed
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 — — US disclosed
EP-1912945-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-04-23 — — EP disclosed
WO-2007016358-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-02-08 — — 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-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators SHBG, AR, NR5A1 CETP 3677/4885P2RX7 4292/4885RIPK1 2050/4885

“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.