SCHEMBL7744031

SCHEMBL7744031

CC(C)CN([C@H]1CCCCN(C(=O)OC(C)(C)C)C1=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.41
STS P08842 1/20 0.41
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TGFBR1 P36897 1/20 0.38
GPR119 Q8TDV5 5/20 0.37
LIMK2 P53671 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
BACE1 P56817 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL10128793 0.88 GPR119 (0.41) STSALDH1A1GPR119PDE4APDE4B
SCHEMBL6258706 0.88 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL2778449 0.88 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL760419 0.86 GPR119 (0.36) CCR5ALDH1A1GPR119PKMPDE4A
SCHEMBL27685734 0.81 ALDH1A1 (0.35) CCR5ALDH1A1GPR119PKM
SCHEMBL28677708 0.76 JAK2 (0.46) STSALDH1A1GPR119KDM4EPKM
SCHEMBL8051176 0.73 PSEN1 (0.40) CCR5ALDH1A1GPR119BACE1
SCHEMBL6218154 0.72 ALDH1A1 (0.61) STSALDH1A1SMN1; SMN2TGFBR1GPR119
SCHEMBL7608032 0.70 GPR119 (0.52) CCR5STSTGFBR1GPR119KDM4E
SCHEMBL7744117 0.70 PSEN1 (0.66)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742158-B2 Protease inhibitors TaiMed Biologies, Inc. (TW) 2014-06-03 US disclosed
US-20130158261-A1 PROTEASE INHIBITORS TAIMED BIOLOGICS, INC. (TW) 2013-06-20 US disclosed
US-8410300-B2 Protease inhibitors TAIMED BIOLOGICS, INC. (TW) 2013-04-02 US disclosed
US-20100184974-A1 Protease Inhibitors AMBRILIA BIOPHARMA INC. (CA) 2010-07-22 US disclosed
US-6632816-B1 Aromatic derivatives as HIV aspartyl protease inhibitors PHARMACOR INC. (CA) 2003-10-14 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-20100184974-A1 Protease Inhibitors PREP, CTRL, CTRB1 CCR5 219/4885STS 916/4885ALDH1A1 2832/4885
US-20130158261-A1 PROTEASE INHIBITORS PREP, CTRL, CTRB1 CCR5 219/4885STS 916/4885ALDH1A1 2832/4885

“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.