Sugi Predict

Sugi Predict / Compounds / SCHEMBL310889

SCHEMBL310889

SCHEMBL310889

CC(C)(C)[C@]1(C(N)=O)CC[C@H](c2ccc(OCc3ccccc3)cc2)N1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.48
▸ PARP10 Q53GL7 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ BTK Q06187 2/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAOB P27338 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ AMPD2 Q01433 1/20 0.40

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
SCHEMBL840063 1.00 KCNH2 (0.48) KCNH2PARP10NPC1RAB9ATP53
SCHEMBL841357 1.00 KCNH2 (0.48) KCNH2PARP10NPC1RAB9ATP53
SCHEMBL310423 0.88 KCNH2 (0.56) KCNH2PARP10MAOB
SCHEMBL840054 0.88 KCNH2 (0.56) KCNH2PARP10MAOB
SCHEMBL839659 0.88 KCNH2 (0.56) KCNH2PARP10MAOB
SCHEMBL2831540 0.84 KCNH2 (0.51) KCNH2PARP10NPC1RAB9ATP53
SCHEMBL2832438 0.84 KCNH2 (0.51) KCNH2PARP10NPC1RAB9ATP53
SCHEMBL839486 0.82 PDE5A (0.36) KDM4EMAOBALDH1A1LMNA
SCHEMBL2835599 0.80 TP53 (0.48) KCNH2TP53ADAM17KDM4EMAOB
SCHEMBL4830210 0.80 TP53 (0.48) KCNH2TP53ADAM17KDM4EMAOB

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-8153681-B2 Method of treating epilepsy by administering 5-(4{[(2-fluorophenyl)methyl]oxy}phenyl)prolinamide Convergence Pharmaceuticals Limited (GB) 2012-04-10 — — US disclosed
US-8143306-B2 Methods of treating bipolar disorders Convergence Pharmaceuticals Limited (GB) 2012-03-27 — — US disclosed
US-8093268-B2 Pharmaceutical compositions comprising 2-methoxy-5-(5-trifluoromethyl-tetrazol-1-yl-benzyl)-(2S-phenylpiperidin-3S-yl-) GLAXO GROUP LIMITED (GB) 2012-01-10 — — US disclosed
EP-2117535-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NK1 RECEPTOR ANTAGONISTS AND SODIUM CHANNEL BLOCKERS GLAXO GROUP LTD (GB) 2011-10-26 — — EP disclosed
US-20110098335-A1 NOVEL COMPOUNDS Convergence Pharmaceuticals Limited (GB) 2011-04-28 — — US disclosed
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) GLAXO GROUP LIMITED (GB) 2010-05-06 — — 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-20110098335-A1 NOVEL COMPOUNDS SCN1A, SCN1B, SCNN1B KCNH2 65/4885PARP10 2793/4885NPC1 254/4885
US-20100113521-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2-METHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOL-1-YL-BENZYL)-(2S-PHENYLPIPERIDIN-3S-YL-) KCNJ2, TRPV1, SCN5A KCNH2 11/4885PARP10 1784/4885NPC1 478/4885

“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.