SCHEMBL5664158

SCHEMBL5664158

CCOC(=O)[C@H](Cc1cc(OC(=O)OC(C)(C)C)c(OC(=O)OC(C)(C)C)cc1I)NC=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
TACR1 P25103 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8932195 0.87 MTNR1A (0.38) MTNR1AMTNR1BSCN9AALDH1A1MAPT
SCHEMBL584547 0.86 SCN9A (0.49) MTNR1AMTNR1BSCN9AALDH1A1MAPT
SCHEMBL8932203 0.85 SCN9A (0.35) SCN9AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL8932192 0.83 CA1 (0.39) MTNR1AMTNR1BALDH1A1CYP1A2CYP2C19
SCHEMBL8932190 0.78 EGFR (0.35) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL13352198 0.77 MTNR1A (0.46) MTNR1AMTNR1BSCN9AMAPTTACR1
SCHEMBL584495 0.76 SCN9A (0.47) MTNR1AMTNR1BSCN9A
SCHEMBL1571749 0.72 SCN9A (0.47) SCN9AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL15962599 0.72 SCN9A (0.51) SCN9AALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL28858611 0.70 CYP1A2 (0.34) SCN9AALDH1A1MAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393908-A Storage stable intermediate NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1995-02-28 US claimed
WO-1994000460-A9 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA 1994-02-17 WO claimed
WO-1994000460-A1 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-01-06 WO claimed
US-7115249-B2 Solid-phase electrophilic fluorination GE HEALTHCARE LTD. (GB) 2006-10-03 US disclosed
EP-1399401-B1 SOLID-PHASE ELECTROPHILIC FLUORINATION GE HEALTHCARE LTD (GB) 2006-08-23 EP disclosed
US-20040186312-A1 Solid-phase electrophilic fluorination GE HEALTHCARE LIMITED (GB) 2004-09-23 US disclosed
EP-1399401-A2 SOLID-PHASE ELECTROPHILIC FLUORINATION Amersham plc (GB) 2004-03-24 EP disclosed
WO-2003002489-A2 SOLID-PHASE ELECTROPHILIC FLUORINATION AMERSHAM PLC (GB) 2003-01-09 WO disclosed
US-5510522-A AMIDATION, IODINATION, METALLIZATION, RADIOFLUORINATION OF DOPA AND DERIVATIVES THEREOF; SHELF STABLE PRECURSOR, HIGH YIELDS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-04-23 US disclosed
US-5393908-A Storage stable intermediate NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1995-02-28 US disclosed
WO-1994000460-A9 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA 1994-02-17 WO disclosed
WO-1994000460-A1 SYNTHESIS OF N-FORMYL-3,4-DI-t-BUTOXYCARBONYLOXY-6-(TRIMETHYLSTANNYL)-L-PHENYLALANINE ETHYL ESTER AND ITS REGIOSELECTIVE RADIOFLUORODESTANNYLATION TO 6-[18F]FLUORO-L-DOPA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-01-06 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-20040186312-A1 Solid-phase electrophilic fluorination CYP2F1, GSTP1, GSTA1 MTNR1A 778/4885MTNR1B 975/4885SCN9A 2662/4885

“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.