SCHEMBL4465651

SCHEMBL4465651

COC(=O)c1ccc(-c2ccc(CCNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.51
CA2 P00918 4/20 0.50
CA1 P00915 3/20 0.50
NAMPT P43490 1/20 0.49
CYP4A11 Q02928 2/20 0.49
MAPT P10636 3/20 0.48
CYP4F2 P78329 1/20 0.48
LMNA P02545 1/20 0.47
PTGER4 P35408 1/20 0.46
RAB9A P51151 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HDAC1 Q13547 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
ESRRB O95718 1/20 0.43

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
SCHEMBL1936202 0.96 MGLL (0.55) MGLLCA2CA1NAMPTCYP4A11
SCHEMBL21221559 0.88 CYP4A11 (0.57) MGLLCA2CA1NAMPTCYP4A11
SCHEMBL2333929 0.86 CYP4A11 (0.58) MGLLCA2CA1CYP4A11CYP4F2
SCHEMBL8591195 0.86 MAPT (0.56) MGLLCA2CA1NAMPTMAPT
SCHEMBL18800977 0.85 NAMPT (0.58) CA2CA1NAMPTMAPTRAB9A
SCHEMBL2313218 0.84 MAPT (0.54) CA2CA1NAMPTMAPTLMNA
SCHEMBL20208983 0.83 CA2 (0.55) CA2CA1NAMPTMAPTLMNA
SCHEMBL25176751 0.83 NQO2 (0.47) MGLLCA2CA1NAMPTCYP4A11
SCHEMBL30369597 0.83 NQO2 (0.47) MGLLCA2CA1NAMPTCYP4A11
SCHEMBL23826707 0.83 NOTUM (0.44) MGLLCA2CA1NAMPTCYP4A11

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-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
EP-1546086-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-29 EP disclosed
WO-2004002939-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 WO disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 MGLL 1520/4885CA2 1546/4885CA1 2409/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 MGLL 4166/4885CA2 117/4885CA1 557/4885

“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.