Sugi Predict

Sugi Predict / Compounds / SCHEMBL4352633

SCHEMBL4352633

SCHEMBL4352633

CC(C)(C)N(C(=O)O)C(CC=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ OPRK1 P41145 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
SCHEMBL1274248 1.00 KDM4E (0.39) KDM4EATMKMT2AL3MBTL1MEN1
SCHEMBL3337824 0.87 TDP1 (0.36) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL5336763 0.86 SMN1; SMN2 (0.50) KDM4EATMKMT2AL3MBTL1MEN1
SCHEMBL7244888 0.85 OPRM1 (0.41) KMT2AMEN1OPRM1CNR2
SCHEMBL7244883 0.85 OPRM1 (0.41) KMT2AMEN1OPRM1CNR2
SCHEMBL5862818 0.84 BMP1 (0.41) KMT2AL3MBTL1OPRM1OPRD1ALDH1A1
SCHEMBL18918310 0.82 HTR2A (0.43) KDM4EL3MBTL1CYP2C19
SCHEMBL18918312 0.82 HTR2A (0.43) KDM4EL3MBTL1CYP2C19
SCHEMBL18918308 0.82 HTR2A (0.43) KDM4EL3MBTL1CYP2C19
SCHEMBL19305426 0.82 RIPK1 (0.42) KDM4EATMKMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8080570-B2 α2B and α2C agonists ALLERGAN, INC. (US) 2011-12-20 — — US disclosed
US-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ALLERGAN, INC. (US) 2009-11-05 — — US disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 — — US disclosed
US-7153868-B2 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. 2006-12-26 — — US disclosed
US-20040067977-A1 Tropane derivatives useful in therapy PFIZER, INC. 2004-04-08 — — US disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 — — US disclosed
EP-1013276-A1 Aminoazacycloalkanes as CCR5 modulators PFIZER INC. (US) 2000-06-28 — — EP 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 (3 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-20090275627-A1 ALPHA2B AND ALPHA2C AGONISTS ADRA2B, ADRA2C, ADRB2 KDM4E 4052/4885ATM 4092/4885KMT2A 2496/4885
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 KDM4E 1083/4885ATM 4028/4885KMT2A 480/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 KDM4E 4233/4885ATM 4244/4885KMT2A 4068/4885

“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.